SCHEMBL2940865

SCHEMBL2940865

OCC1CCCN1c1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
ITGB2 P05107 4/20 0.42
ICAM1 P05362 4/20 0.42
ITGAL P20701 4/20 0.42
AR P10275 4/20 0.40
ACVR1 Q04771 1/20 0.38
CNR2 P34972 1/20 0.38
CDK1 P06493 2/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
FFAR1 O14842 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL2938608 0.90 AR (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL18013226 0.85 NOTUM (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2941894 0.85 FPR1 (0.44) ITGB2ICAM1ITGALARCNR2
SCHEMBL2970530 0.83 CCNE2 (0.43) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2970533 0.83 CCNE2 (0.43) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2978130 0.83 CCNE2 (0.43) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2933528 0.82 DPP4 (0.40) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2935263 0.82 AR (0.43) AR
SCHEMBL14451612 0.81 CCNE2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL13122706 0.80 ITGB2 (0.49) CCNE2CDK4CCND1CCNE1CDK2

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 CCNE2 64/4885CDK4 25/4885CCND1 32/4885

“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.