SCHEMBL2942012

SCHEMBL2942012

CCc1ccc(N2CCCC2CCO)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.38
PPARG P37231 1/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CDK2 P24941 4/20 0.35
CDK9 P50750 4/20 0.35
CDK5 Q00535 3/20 0.35
CDK1 P06493 3/20 0.35
CDK7 P50613 3/20 0.35
CCNE1 P24864 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNT2 O60583 1/20 0.35
BRD4 O60885 1/20 0.35
CCNK O75909 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35

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
SCHEMBL3971084 0.91 FFAR1 (0.36) FFAR1PPARGVEGFAEGLN1
SCHEMBL2934509 0.89 FFAR1 (0.39) FFAR1PPARG
SCHEMBL2937611 0.88 FFAR1 (0.35) FFAR1PPARGVEGFAEGLN1
SCHEMBL2941733 0.84 FFAR1 (0.42) FFAR1PPARG
SCHEMBL2935646 0.83 FPR1 (0.42) FFAR1
SCHEMBL2942154 0.81 FFAR1 (0.33) FFAR1PPARG
SCHEMBL2942001 0.78 FFAR1 (0.35) FFAR1PPARGCDK2CCNE1CCNE2
SCHEMBL2938608 0.78 AR (0.39) FFAR1CDK2CCNE1CCNE2CDK4
SCHEMBL2942976 0.77 MAPT (0.43)
SCHEMBL2938017 0.76 FPR1 (0.39) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP disclosed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO disclosed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP 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-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 FFAR1 2216/4885PPARG 1696/4885VEGFA 4262/4885

“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.