SCHEMBL2935776

SCHEMBL2935776

COCC1CCCN1c1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.45
FPR2 P25090 3/20 0.45
MAP3K12 Q12852 1/20 0.41
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
ADORA2A P29274 3/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CRHR1 P34998 1/20 0.37
ADORA1 P30542 2/20 0.36
ENPP2 Q13822 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CNR2 P34972 1/20 0.35
NMT1 P30419 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 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
SCHEMBL2941035 0.85 CCNE2 (0.43) TRPV1
SCHEMBL5867027 0.85 FPR1 (0.45) FPR1FPR2MAP3K12CASP3CASP7
SCHEMBL2938360 0.83 CRHR1 (0.39) FPR1FPR2ADORA2ACHRNB4CHRNA3
SCHEMBL2938033 0.82 CCNE2 (0.36)
SCHEMBL2935112 0.82 CRHR1 (0.47) FPR1FPR2ADORA2ACHRNB4CHRNA3
SCHEMBL2939993 0.81 FPR1 (0.46) FPR1FPR2ADORA2ACRHR1ADORA1
SCHEMBL2941648 0.81 FFAR1 (0.46) FPR1FPR2ADORA2ACHRNB4CHRNA3
SCHEMBL20668703 0.80 FPR1 (0.58) FPR1FPR2MAP3K12CASP3CASP7
SCHEMBL2941344 0.80 CRHR1 (0.38) FPR1FPR2CASP3CASP7ADORA2A
SCHEMBL2935562 0.78 CRHR1 (0.39) FPR1FPR2CASP3CASP7ADORA2A

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 FPR1 1066/4885FPR2 1163/4885MAP3K12 1385/4885

“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.