SCHEMBL2939718

SCHEMBL2939718

Cc1cc(O)ccc1-c1c(N)cccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.49
ESR1 P03372 9/20 0.44
HSD17B1 P14061 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
AURKA O14965 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
P4HB P07237 1/20 0.39
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.37

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
SCHEMBL2934180 0.86 ALDH1A1 (0.46) CYP1A2CYP2C19MEN1ALDH1A1MAPT
SCHEMBL2936081 0.85 AURKA (0.46) AURKADYRK1AMEN1ALDH1A1KMT2A
SCHEMBL2937969 0.82 TRPA1 (0.42) AURKAMEN1ALDH1A1MAPTKMT2A
SCHEMBL30619950 0.82 ESR2 (0.52) ESR2ESR1HSD17B1CYP1A2CYP2C19
SCHEMBL15698723 0.81 ESR2 (0.59) ESR2ESR1HSD17B1MEN1ALDH1A1
SCHEMBL2941104 0.80 NPC1 (0.46) ESR2AURKADYRK1AMEN1ALDH1A1
SCHEMBL2934543 0.80 ALOX15 (0.46) CYP1A2CYP2C19MEN1ALDH1A1MAPT
SCHEMBL2938830 0.77 TRPA1 (0.45) CYP1A2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2938735 0.76 ALOX15 (0.46) CYP1A2CYP2C19MEN1ALDH1A1MAPT
SCHEMBL2936870 0.75 TRPA1 (0.50) MEN1ALDH1A1KMT2AATMELANE

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 6 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
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 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 (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 ESR2 261/4885ESR1 136/4885HSD17B1 2054/4885

“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.