SCHEMBL6442885

SCHEMBL6442885

OCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.56
AR P10275 1/20 0.51
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
MAOA P21397 5/20 0.49
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL27563768 0.87 MAOB (0.52) MAOBARPPARDPPARAPPARG
SCHEMBL508697 0.82 MAOB (0.70) MAOBPPARDPPARAPPARGMRGPRX4
SCHEMBL5515224 0.82 MAOB (0.70) MAOBPPARDPPARAPPARGMRGPRX4
SCHEMBL8761070 0.79 ALOX5 (0.58) MAOBMAOA
SCHEMBL5512060 0.79 MAOB (0.63) MAOBMAOAMRGPRX4
SCHEMBL9370437 0.77 MAOB (0.50) MAOBARMAOA
SCHEMBL14548566 0.76 MAOB (0.66) MAOBPPARDPPARAPPARGMRGPRX4
SCHEMBL18002747 0.76 MAOB (0.69) MAOBPPARGMRGPRX4
SCHEMBL695145 0.76 AR (0.52) MAOBARMRGPRX4
SCHEMBL14108489 0.75 MAOB (0.64) MAOBPPARDPPARAPPARGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539694-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO 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-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT MAOB 1/4885AR 2431/4885PPARD 1252/4885

“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.