SCHEMBL2940175

SCHEMBL2940175

OCC1CCN(c2cccc(O)c2F)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
BPTF Q12830 1/20 0.40
PTPN1 P18031 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE10A Q9Y233 5/20 0.35
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL2939316 0.85 NOTUM (0.39) NOTUMBPTFPDE10AKDM4E
SCHEMBL27602880 0.84 PTPN1 (0.43) NOTUMPTPN1PDE10A
SCHEMBL2940286 0.82 PDE10A (0.38) PTPN1PDE10AIRAK1IRAK4KDM4E
SCHEMBL2938152 0.82 NOTUM (0.46) NOTUMPTPN1PDE10AIRAK4
SCHEMBL2941126 0.82 NOTUM (0.39) NOTUMBPTFPTPN1CYP2C19PDE10A
SCHEMBL2938797 0.80 NOTUM (0.44) NOTUMKDM4E
SCHEMBL31618581 0.80 NOTUM (0.57) NOTUMPTPN1CYP2C19KDM4E
SCHEMBL2938247 0.80 PTPN1 (0.37) PTPN1PDE10AIRAK1IRAK4
SCHEMBL2939997 0.80 PTPN1 (0.37) NOTUMBPTFPTPN1PDE10AIRAK1
SCHEMBL2939360 0.79 HTR1A (0.39) PTPN1PDE10A

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 NOTUM 2973/4885BPTF 2957/4885PTPN1 3054/4885

“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.