SCHEMBL1972308

SCHEMBL1972308

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.42
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
APEX1 P27695 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR1A P08908 2/20 0.36
PGR P06401 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36

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 0.93 THRB (0.48) ALDH1A1THRBTSHRCHRM5CHRM1
Methacrylic Acid SCHEMBL14894474 0.90 THRB (0.46) ALDH1A1THRBTSHRCHRM5CHRM1
Hydrochloric Acid SCHEMBL252608 0.84 CHRM5 (0.57) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL1984343 0.84 THRB (0.50) ALDH1A1THRBTSHRCHRM5CHRM1
Hydrochloric Acid SCHEMBL21611322 0.84 THRB (0.50) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL1972023 0.84 TSHR (0.60) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL3092716 0.83 ALDH1A1 (0.46) ALDH1A1THRBTSHRCHRM5CHRM1
SCHEMBL1291892 0.80 ALDH1A1 (0.71) ALDH1A1THRBTSHRCHRM5CHRM1
Methacrylic Acid SCHEMBL7553425 0.78 ALDH1A1 (0.62) ALDH1A1THRBTSHRAPEX1POLB
Hydrochloric Acid SCHEMBL28569529 0.76 TSHR (0.58) ALDH1A1THRBTSHRCHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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
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 (3 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-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 ALDH1A1 774/4885THRB 4056/4885TSHR 4226/4885
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 ALDH1A1 899/4885THRB 3568/4885TSHR 3805/4885
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 ALDH1A1 911/4885THRB 3514/4885TSHR 4059/4885

“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.