SCHEMBL2933993

SCHEMBL2933993

Nc1cccc(O)c1-c1cc(O)cc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ALOX15 P16050 3/20 0.44
TSHR P16473 1/20 0.44
ABL1 P00519 3/20 0.41
ABCB1 P08183 3/20 0.41
BCR P11274 3/20 0.41
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
LMNA P02545 2/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TTR P02766 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL2931222 0.90 TDP1 (0.42) NQO1ALOX15TSHRABL1ABCB1
SCHEMBL2937291 0.86 HSD17B1 (0.50) ALOX15TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL2939499 0.83 ALOX15 (0.44) ALOX15TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL2937233 0.82 CNR2 (0.45) ALOX15TSHRALDH1A1HSD17B10HPGD
SCHEMBL2936698 0.81 ALOX15 (0.46) ALOX15TSHRALDH1A1HSD17B10HSD17B1
SCHEMBL2931098 0.80 CNR1 (0.44) ALOX15TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL2941045 0.80 TSHR (0.41) ALOX15TSHRCYP3A4ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL2938598 0.79 ALOX15 (0.44) ALOX15TSHRALDH1A1HSD17B10HSD17B1
SCHEMBL2936687 0.78 ALOX15 (0.54) ALOX15TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL2931315 0.78 CYP3A4 (0.50) ALOX15TSHRCYP3A4ALDH1A1CA12

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 NQO1 410/4885ALOX15 3697/4885TSHR 1081/4885

“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.