SCHEMBL4429942

SCHEMBL4429942

O=C(O)COc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.71
MAOB P27338 6/20 0.64
PARP10 Q53GL7 1/20 0.64
FFAR1 O14842 1/20 0.59
APP P05067 1/20 0.59
GPR34 Q9UPC5 1/20 0.56
PPARD Q03181 2/20 0.56
PPARG P37231 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
S1PR5 Q9H228 1/20 0.56
GSK3B P49841 1/20 0.56
BACE1 P56817 1/20 0.56
PPARA Q07869 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL503401 0.89 ALOX15 (0.65) NR4A2FFAR1
Hydrochloric Acid SCHEMBL1619090 0.87 ALOX15 (0.63) NR4A2FFAR1
SCHEMBL29238253 0.87 ALOX15 (0.63) NR4A2FFAR1
Fluoride SCHEMBL11177165 0.87 ALOX15 (0.63) NR4A2FFAR1
SCHEMBL3500162 0.86 NR4A2 (0.71) NR4A2MAOBPARP10FFAR1APP
SCHEMBL4432738 0.85 MAOB (0.71) NR4A2MAOBPARP10APPGPR34
SCHEMBL1115002 0.84 PPARG (0.71) NR4A2MAOBPARP10FFAR1PPARD
SCHEMBL3981241 0.83 FFAR1 (0.77) NR4A2MAOBPARP10FFAR1
SCHEMBL27550091 0.83 MAOB (0.80) NR4A2MAOBPARP10APPCA12
SCHEMBL24806566 0.83 NR4A2 (0.71) NR4A2MAOBFFAR1APPPPARD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 US 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT NR4A2 1668/4885MAOB 1/4885PARP10 1329/4885

“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.