SCHEMBL2939503

SCHEMBL2939503

OCCc1c(O)cccc1N1CCC(O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 4/20 0.38
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
RAD52 P43351 1/20 0.34
NOTUM Q6P988 3/20 0.33
PDE10A Q9Y233 1/20 0.32
WDR91 A4D1P6 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
AR P10275 1/20 0.32
IDH2 P48735 1/20 0.32
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL2939997 0.84 PTPN1 (0.37) NOTUMPDE10AIRAK1IRAK4
SCHEMBL2935499 0.84 PBRM1 (0.38) PBRM1SMARCA2SMARCA4RAD52NOTUM
SCHEMBL2943565 0.83 IRAK4 (0.38) NOTUMPDE10AIRAK4
SCHEMBL2934957 0.81 NOTUM (0.57) NOTUM
SCHEMBL2940679 0.80 PDE10A (0.36) PDE10A
SCHEMBL2938297 0.79 MAPT (0.39) PBRM1SMARCA2SMARCA4
SCHEMBL2938797 0.76 NOTUM (0.44) PBRM1SMARCA2SMARCA4NOTUMIDH2
SCHEMBL2935411 0.76 PBRM1 (0.40) PBRM1SMARCA2SMARCA4RAD52NOTUM
SCHEMBL2940182 0.76 NOTUM (0.49) PBRM1SMARCA2SMARCA4NOTUMWDR91
SCHEMBL3000639 0.75 HRH3 (0.34) PBRM1SMARCA2SMARCA4

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 PBRM1 1928/4885SMARCA2 2388/4885SMARCA4 2011/4885

“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.