SCHEMBL2935772

SCHEMBL2935772

Nc1cccc(O)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
MAPT P10636 2/20 0.52
IKBKB O14920 1/20 0.50
BRD4 O60885 1/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ADORA1 P30542 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.43
MAOB P27338 1/20 0.43
PTGS1 P23219 2/20 0.42

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
SCHEMBL27461735 0.89 CNR2 (0.62) CNR2MAPTIKBKBBRD4TSHR
SCHEMBL2938865 0.82 KIF11 (0.48) TSHRCYP1A2CYP2C19KIF11ALDH1A1
SCHEMBL9621782 0.80 ALDH1A1 (0.54) CNR2IKBKBBRD4ADORA1KIF11
SCHEMBL5843685 0.79 ALOX15 (0.59) CNR2MAPTIKBKBBRD4TSHR
SCHEMBL2933328 0.79 TAAR1 (0.48) MAPTTSHRMAPK1SMN1; SMN2
SCHEMBL2931315 0.78 CYP3A4 (0.50) MAPTIKBKBTSHRCYP1A2CYP3A4
SCHEMBL2937291 0.78 HSD17B1 (0.50) MAPTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL8846192 0.78 MAPT (0.51) CNR2MAPTIKBKBBRD4KIF11
SCHEMBL2931722 0.77 ALOX15 (0.55) MAPTIKBKBBRD4TSHRCYP1A2
Hydrochloric Acid SCHEMBL2936926 0.77 CYP3A4 (0.49) MAPTIKBKBTSHRCYP1A2CYP3A4

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 CNR2 1600/4885MAPT 2150/4885IKBKB 2996/4885

“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.