SCHEMBL4425903

SCHEMBL4425903

OCCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.73
NR4A2 P43354 2/20 0.62
PARP10 Q53GL7 1/20 0.61
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
MAOA P21397 2/20 0.53
SCN9A Q15858 1/20 0.53

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
SCHEMBL30102056 0.90 MAOB (0.68) MAOBNR4A2PARP10LTA4HEPHX2
SCHEMBL23642850 0.90 MAOB (0.68) MAOBNR4A2PARP10LTA4HEPHX2
SCHEMBL29817726 0.87 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL4228288 0.87 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL565998 0.84 MAOB (1.00) MAOBNR4A2PARP10
SCHEMBL3625818 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOA
SCHEMBL27521276 0.83 MAOB (0.77) MAOBNR4A2PARP10MAOA
SCHEMBL992837 0.82 MAOB (1.00) MAOBNR4A2PARP10
SCHEMBL5020048 0.81 MAOB (0.61) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL9626407 0.81 MAOB (0.69) MAOBNR4A2PARP10MAOASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100554244-C New MAO-B inhibitor HOFFMANN LA ROCHE (CH) 2009-10-28 CN disclosed
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
CN-1972903-A Novel MAO-B inhibitors HOFFMANN LA ROCHE (CH) 2007-05-30 CN 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 MAOB 1/4885NR4A2 1668/4885PARP10 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.