SCHEMBL78460

SCHEMBL78460

Nc1ccc(N2CCCC2CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.43
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CHUK O15111 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4890984 1.00 FFAR1 (0.43) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL78175 0.95 ALDH1A1 (0.42) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL7039463 0.89 GBA1 (0.39) FFAR1POLBL3MBTL1KDM4EMEN1
SCHEMBL27690561 0.83 FFAR1 (0.43) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL21135743 0.83 FFAR1 (0.46) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL21136648 0.83 FFAR1 (0.46) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL21135457 0.83 FFAR1 (0.58) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL21135481 0.83 FFAR1 (0.58) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL1584946 0.83 FFAR1 (0.43) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL1584947 0.83 FFAR1 (0.43) FFAR1CCNE2CDK4CCND1CCNE1

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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10444157-B2 Method of assessing hair colour changes CONOPCO, INC. (US) 2019-10-15 US claimed
US-10386306-B2 2019-08-20 US claimed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US claimed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US claimed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP claimed
EP-0962452-B1 Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols P & G CLAIROL INC (US) 2003-09-17 EP claimed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
EP-0962452-A1 Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP claimed
US-5993491-A Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-30 US claimed
JP-11349564-A None JP disclosed
JP-11349564-A None JP disclosed
EP-3423029-B1 OXIDATIVE COLORATION OF HAIR WITH REDUCED HAIR DAMAGE UNILEVER IP HOLDINGS B V (NL) 2022-07-20 EP disclosed
EP-3041584-B1 METHOD OF ASSESSING HAIR COLOUR CHANGES UNILEVER IP HOLDINGS B V (NL) 2021-10-27 EP disclosed
US-10588837-B2 Oxidative coloration of hair with reduced hair damage CONOPCO, INC. (US) 2020-03-17 US disclosed
EP-0962452-A1 Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP disclosed
US-5993491-A Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-30 US disclosed
US-5993491-A Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-30 US disclosed
US-5993491-A Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-30 US disclosed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 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-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent KRT18, AOC1, DPYD FFAR1 4574/4885CCNE2 2941/4885CDK4 453/4885

“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.