SCHEMBL2935652

SCHEMBL2935652

COCC1CCCN1c1cc(O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAP4K1 Q92918 1/20 0.40
FFAR1 O14842 2/20 0.39
CASP7 P55210 2/20 0.39
CASP3 P42574 1/20 0.39
CRHR1 P34998 1/20 0.38
ADORA2A P29274 7/20 0.37
ADORA1 P30542 7/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL2940292 0.84 CHRNB4 (0.55) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB
SCHEMBL2935503 0.84 CHRNB4 (0.43) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB
SCHEMBL2938685 0.83 MAP2K7 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4FFAR1
SCHEMBL2937107 0.79 FPR1 (0.43) FFAR1CRHR1FPR1FPR2
SCHEMBL8075644 0.78 ADORA2A (0.43) ROCK2ROCK1CDC42BPBMAP4K1CASP7
SCHEMBL2937088 0.76 ROCK2 (0.42) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB
SCHEMBL2942471 0.76 MGLL (0.33) CHRNB4CHRNA3CHRNB2CHRNA4FFAR1
SCHEMBL5037356 0.75 ADORA2A (0.41) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB
SCHEMBL5037350 0.75 ADORA2A (0.41) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB
SCHEMBL2938360 0.75 CRHR1 (0.39) CHRNB4CHRNA3ROCK2ROCK1CDC42BPB

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 CHRNB4 979/4885CHRNA3 1452/4885ROCK2 4329/4885

“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.