SCHEMBL2943115

SCHEMBL2943115

COCC1CCCN1c1cccc(O)c1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PBRM1 Q86U86 1/20 0.38
DRD2 P14416 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADORA2A P29274 6/20 0.36
ADORA1 P30542 4/20 0.36
MAP4K1 Q92918 1/20 0.35
VEGFA P15692 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
SCHEMBL2937451 0.89 ROCK2 (0.41) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2941782 0.85 NR1I2 (0.39) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2938205 0.84 NR1I2 (0.38) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2941474 0.83 ROCK2 (0.42) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2937088 0.82 ROCK2 (0.42) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2941517 0.82 ROCK2 (0.42) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2940501 0.82 DRD2 (0.46) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL2940803 0.79 ROCK2 (0.40) ROCK2ROCK1CDC42BPBNR1I2SMARCA2
SCHEMBL3000639 0.79 HRH3 (0.34) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2940679 0.78 PDE10A (0.36)

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 ROCK2 4329/4885ROCK1 3992/4885CDC42BPB 4208/4885

“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.