SCHEMBL2941035

SCHEMBL2941035

OCC1CCCN1c1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK1 P06493 3/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
TACR1 P25103 5/20 0.38
TACR3 P29371 5/20 0.38
SPHK1 Q9NYA1 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37
ADRB1 P08588 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K7 O14733 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 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
SCHEMBL29141468 0.91 CCNE2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2938033 0.91 CCNE2 (0.36) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2935776 0.85 FPR1 (0.45) TRPV1
SCHEMBL2943203 0.82 ADRB1 (0.38) ADRB1MEN1ALDH1A1KMT2A
SCHEMBL2935199 0.81 SPHK2 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL21136651 0.81 BRD4 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL18013246 0.81 BRD4 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3169631 0.80 MAP2K7 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2942985 0.78 SERPINE1 (0.48) KMT2AITGB2ICAM1ITGAL
SCHEMBL2935130 0.78 MAP2K7 (0.41) 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.