SCHEMBL2935979

SCHEMBL2935979

OCC1CCN(c2cc(O)cc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
ADRB1 P08588 1/20 0.42
FFAR4 Q5NUL3 7/20 0.41
NOTUM Q6P988 2/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RBP4 P02753 1/20 0.35
BPTF Q12830 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
SCHEMBL2939187 0.89 DPP4 (0.47) DPP4ADRB1FFAR4NOTUMLPL
SCHEMBL31411844 0.86 FFAR4 (0.51) DPP4ADRB1FFAR4NOTUMPTGS1
SCHEMBL2942034 0.85 DPP4 (0.46) DPP4ADRB1FFAR4NOTUMRBP4
SCHEMBL2941456 0.81 BPTF (0.47) FFAR4NOTUMBPTF
SCHEMBL2938821 0.81 DPP4 (0.46) DPP4ADRB1FFAR4NOTUM
SCHEMBL1010364 0.81 NOTUM (0.62) NOTUMHRH3BPTF
SCHEMBL2932821 0.78 MAP2K7 (0.38) FFAR4NOTUMBPTF
SCHEMBL2935952 0.78 NOTUM (0.48) ADRB1FFAR4NOTUMBPTF
SCHEMBL28201369 0.78 CYP3A4 (0.47) DPP4ADRB1
SCHEMBL2935259 0.77 NOTUM (0.68) DPP4NOTUM

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 DPP4 2003/4885ADRB1 1349/4885FFAR4 2137/4885

“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.