SCHEMBL2937291

SCHEMBL2937291

Nc1cccc(O)c1-c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 12/20 0.50
HSD17B2 P37059 12/20 0.50
CYP3A4 P08684 6/20 0.50
CYP2C9 P11712 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2B6 P20813 4/20 0.50
CYP2C19 P33261 4/20 0.50
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
ALDH1A1 P00352 3/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2933993 0.86 NQO1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL31545504 0.85 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2931315 0.84 CYP3A4 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2937981 0.84 ALDH1A1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL2936926 0.82 CYP3A4 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2931722 0.82 ALOX15 (0.55) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL27736524 0.82 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2936687 0.81 ALOX15 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2931222 0.81 TDP1 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL2939336 0.81 IKBKB (0.45) ALDH1A1ALOX15TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 HSD17B1 2054/4885HSD17B2 1830/4885CYP3A4 51/4885

“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.