SCHEMBL2935263

SCHEMBL2935263

Oc1cc(N2CCCC2O)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.43
PDK2 Q15119 1/20 0.38
NOTUM Q6P988 7/20 0.35
HTR2A P28223 3/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2940865 0.82 CCNE2 (0.44) AR
SCHEMBL2942230 0.81 HSD11B1 (0.46) ARNOTUMMAPTKMT2A
SCHEMBL2940821 0.80 CA3 (0.37) ARPDK2
SCHEMBL2938608 0.80 AR (0.39) ARPDK2NOTUML3MBTL1
SCHEMBL2941894 0.78 FPR1 (0.44) AR
SCHEMBL2936177 0.77 POLB (0.37) PDK2
SCHEMBL2936957 0.77 ALDH1A1 (0.37) ARPDK2NOTUMALDH1A1
SCHEMBL2940011 0.77 KMT2A (0.49) MAPTMEN1KMT2AMAPK1L3MBTL1
SCHEMBL2939917 0.74 AR (0.49) ARPDK2NOTUMMAPTMEN1
SCHEMBL2942154 0.73 FFAR1 (0.33) PDK2MAPT

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 AR 71/4885PDK2 305/4885NOTUM 2973/4885

“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.