SCHEMBL625055

SCHEMBL625055

C=C(C)C(=O)OCCN(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
BCHE P06276 1/20 0.30

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
SCHEMBL16309298 0.83 THRB (0.50) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL4196703 0.83 THRB (0.50) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL1326895 0.81 THRB (0.48) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL9806275 0.81 THRB (0.48) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL20614659 0.81 THRB (0.42) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL2807372 0.80 ALDH1A1 (0.56) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL11969909 0.80 ALDH1A1 (0.56) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL7257389 0.80 THRB (0.47) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL4977814 0.80 THRB (0.47) THRBTSHRALDH1A1CHRNB2CHRNA4
SCHEMBL28357528 0.80 THRB (0.41) THRBTSHRALDH1A1CHRNB2CHRNA4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043222-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, SUBSTRATE FOR PATTERN FORMATION, TRANSISTOR, PATTERN FORMATION METHOD, AND TRANSISTOR MANUFACTURING METHOD 株式会社ニコン 2024-02-29 WO disclosed
WO-2018128678-A2 COMPOSITIONS AND METHODS FOR RESTRUCTURING CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-07-12 WO disclosed
WO-2018093575-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE QUALITY OF CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-05-24 WO disclosed
WO-2012021472-A2 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES L'OREAL S. A. (FR) 2012-02-16 WO disclosed
EP-1855643-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 (FR) 2007-11-21 EP disclosed
EP-1855638-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'Oréal (FR) 2007-11-21 EP 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-2006089809-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 (FR) 2006-08-31 WO disclosed
WO-2006089806-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'ORÉAL (FR) 2006-08-31 WO 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 (1 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-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 THRB 4153/4885TSHR 4877/4885ALDH1A1 93/4885

“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.