SCHEMBL2935112

SCHEMBL2935112

COCC1CCCN1c1cc(C)cc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.47
ADORA2A P29274 11/20 0.41
ADORA1 P30542 11/20 0.41
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
FFAR1 O14842 3/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL2935130 0.85 MAP2K7 (0.41) ADORA2AADORA1ADORA3FFAR1CHRNB4
SCHEMBL2939993 0.85 FPR1 (0.46) CRHR1ADORA2AADORA1CYP1A2ADORA3
SCHEMBL2938360 0.85 CRHR1 (0.39) CRHR1ADORA2AADORA1CYP1A2ADORA3
SCHEMBL2941648 0.85 FFAR1 (0.46) CRHR1ADORA2AADORA1FFAR1FPR1
SCHEMBL2941344 0.84 CRHR1 (0.38) CRHR1ADORA2AADORA1CYP1A2ADORA3
SCHEMBL2939908 0.82 FFAR1 (0.37) FFAR1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2935776 0.82 FPR1 (0.45) CRHR1ADORA2AADORA1CYP1A2ADORA3
SCHEMBL2935562 0.82 CRHR1 (0.39) CRHR1ADORA2AADORA1CYP1A2ADORA3
SCHEMBL12082308 0.79 FFAR1 (0.48) CRHR1ADORA2AADORA1FFAR1FPR1
SCHEMBL12082307 0.78 FFAR1 (0.56) CRHR1ADORA2AADORA1FFAR1FPR1

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 CRHR1 106/4885ADORA2A 2689/4885ADORA1 1668/4885

“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.