SCHEMBL1972023

SCHEMBL1972023

C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCC[N+](C)(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
THRB P10828 1/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 3/20 0.38
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16727672 0.90 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL14894474 0.87 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL6114873 0.85 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2988331 0.85 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
Hydrogen Sulfide SCHEMBL27984120 0.85 TSHR (0.81) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1972308 0.84 ALDH1A1 (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5899198 0.84 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
Acetic Acid SCHEMBL27968233 0.83 TSHR (0.78) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19066401 0.83 TSHR (0.84) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11583525 0.83 TSHR (0.84) TSHRTHRBPOLBAPEX1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135150-B2 Compositions and methods for improving the quality of chemically treated hair L'OREAL (FR) 2021-10-05 US disclosed
US-20180140532-A1 COMPOSITIONS AND METHODS FOR RESTRUCTURING CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-05-24 US disclosed
US-20180140531-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE QUALITY OF CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-05-24 US disclosed
US-9186314-B2 Compositions and methods for sealing the surface of keratinous substrates L'OREAL (FR) 2015-11-17 US disclosed
US-20130149274-A1 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES L'OREAL S.A. (FR) 2013-06-13 US disclosed
WO-2013061477-A1 HAIR COLORATION BY THERMAL TRANSFER TECHNOLOGY L'OREAL (FR) 2013-05-02 WO disclosed
EP-1855643-B1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION OREAL (FR) 2011-08-03 EP disclosed
EP-1855638-B1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT ANTHRAQUINONE DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION OREAL (FR) 2011-06-22 EP disclosed
US-7722680-B2 Dyeing of human keratin materials by dry thermal transfer of a direct dye, composition comprising the said dye and its method of preparation L'OREAL S.A. (FR) 2010-05-25 US disclosed
US-7651535-B2 Dyeing of in particular human keratin materials by dry thermal transfer of a direct anthraquinone dye, composition comprising the said dye and its method of preparation L'OREAL S.A. (FR) 2010-01-26 US disclosed
US-7645304-B2 Dyeing of in particular human keratin materials by dry thermal transfer of a direct azomethine dye, composition comprising the said dye and its method of preparation L'OREAL S.A. (FR) 2010-01-12 US disclosed
US-20080168608-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Anthraquinone Dye, Composition Comprising the Said Dye and Its Method of Preparation L'OREAL S.A. (FR) 2008-07-17 US disclosed
US-20080148496-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Dye, Composition Comprising the Said Dye and Its Method of Preparation L'OREAL S.A. (FR) 2008-06-26 US disclosed
US-20080120792-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Azomethine Dye, Composition Comprising the Said Dye and its Method of Preparation L'OREAL S.A. (FR) 2008-05-29 US disclosed
EP-1855636-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT AZOMETHINE DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'OREAL (FR) 2007-11-21 EP disclosed
US-20060242771-A1 Anhydrous composition in the form of a film comprising a film-forming polymer and a direct dye, preparation and dyeing process using the composition L'OREAL S.A. (FR) 2006-11-02 US disclosed
US-20060230546-A1 Anhydrous composition in the form of a film comprising at least one film-forming polymer and at least one oxidation dye, preparation, and dyeing process L'OREAL S.A. (FR) 2006-10-19 US disclosed
WO-2006089807-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT AZOMETHINE DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'ORÉAL (FR) 2006-08-31 WO disclosed
US-20020197225-A1 Hair composition comprising a polysaccharide grafted with a polysiloxane, and a fixing polymer L'OREAL S.A. (FR) 2002-12-26 US disclosed
US-20020193265-A1 Detergent cosmetic compositions containing an anionic surfactant derived from amino acids and salts thereof and a soluble conditioning agent and uses thereof L'OREAL S.A. (FR) 2002-12-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020193265-A1 Detergent cosmetic compositions containing an anionic surfactant derived from amino acids and salts thereof and a soluble conditioning agent and uses thereof CUTA, SMURF1, SPAST TSHR 3644/4885THRB 4035/4885POLB 2954/4885
US-20020197225-A1 Hair composition comprising a polysaccharide grafted with a polysiloxane, and a fixing polymer ALG1, DPM1, SUCLG1 TSHR 3631/4885THRB 3890/4885POLB 2856/4885
US-20180140532-A1 COMPOSITIONS AND METHODS FOR RESTRUCTURING CHEMICALLY TREATED HAIR TET3, TYR, DDC TSHR 3669/4885THRB 2481/4885POLB 259/4885
US-20060242771-A1 Anhydrous composition in the form of a film comprising a film-forming polymer and a direct dye, preparation and dyeing process using the composition KRT18, DSG1, DSP TSHR 4872/4885THRB 4684/4885POLB 2071/4885
US-11135150-B2 Compositions and methods for improving the quality of chemically treated hair SRM, TET2, TET3 TSHR 3406/4885THRB 2005/4885POLB 163/4885
US-20080168608-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Anthraquinone Dye, Composition Comprising the Said Dye and Its Method of Preparation KRT18, DSG1, KLK5 TSHR 4226/4885THRB 4056/4885POLB 2144/4885
US-20080120792-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Azomethine Dye, Composition Comprising the Said Dye and its Method of Preparation KRT18, IK, KLK5 TSHR 3805/4885THRB 3568/4885POLB 3591/4885
US-20060230546-A1 Anhydrous composition in the form of a film comprising at least one film-forming polymer and at least one oxidation dye, preparation, and dyeing process KRT18, DSG1, DSP TSHR 4877/4885THRB 4153/4885POLB 909/4885
US-20130149274-A1 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES KRT18, PLOD3, DDC TSHR 4809/4885THRB 4430/4885POLB 396/4885
US-20080148496-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Dye, Composition Comprising the Said Dye and Its Method of Preparation KRT18, IK, DSG1 TSHR 4059/4885THRB 3514/4885POLB 2910/4885
US-20180140531-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE QUALITY OF CHEMICALLY TREATED HAIR SRM, TET2, TET3 TSHR 3406/4885THRB 2005/4885POLB 163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.