SCHEMBL2933264

SCHEMBL2933264

COc1c(O)cccc1N1CCCC1CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
ACVR1 Q04771 4/20 0.41
NR1I2 O75469 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PBRM1 Q86U86 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
PDK2 Q15119 2/20 0.38
PDK4 Q16654 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 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
SCHEMBL2940501 0.88 DRD2 (0.46) DRD2NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2936136 0.82 NR1I2 (0.42) DRD2ACVR1NR1I2SMARCA2SMARCA4
SCHEMBL2937781 0.82 DRD2 (0.41) DRD2NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2941905 0.80 NR1I2 (0.43) DRD2ACVR1NR1I2SMARCA2SMARCA4
SCHEMBL2941402 0.79 NR1I2 (0.39) ACVR1NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2940730 0.79 ACVR1 (0.41) ACVR1NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2941782 0.78 NR1I2 (0.39) ACVR1NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2936245 0.77 KEAP1 (0.45) DRD2
SCHEMBL3179490 0.77 ACVR1 (0.44) ACVR1NR1I2SMARCA2SMARCA4NR1H2
SCHEMBL2943119 0.76 CCNE2 (0.46) ACVR1NR1I2SMARCA2SMARCA4NR1H2

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 DRD2 124/4885ACVR1 665/4885NR1I2 1568/4885

“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.