SCHEMBL9113076

SCHEMBL9113076

c1ccc(COc2ccc(-c3nc4ccc(OCC5CC5)cn4n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.44
WDR5 P61964 1/20 0.43
MAOB P27338 2/20 0.43
ALOX5 P09917 1/20 0.41
FDFT1 P37268 1/20 0.41
MERTK Q12866 1/20 0.41
PRMT5 O14744 1/20 0.39

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
SCHEMBL11247509 0.77 LMNA (0.58) MAOBFDFT1
SCHEMBL9113408 0.74 ACACB (0.48)
SCHEMBL27038509 0.72 PARP15 (0.37)
SCHEMBL27037290 0.72 ALOX5 (0.44) WDR5MAOBALOX5PRMT5
SCHEMBL27038811 0.72 GAA (0.49) WDR5MAOBALOX5
SCHEMBL27038331 0.72 PIK3CA (0.42)
SCHEMBL9114079 0.70 CYP3A4 (0.46) FFAR1ALOX5
SCHEMBL21914530 0.70 AOC3 (0.59) MAOBALOX5FDFT1PRMT5
SCHEMBL25835186 0.69 AOC3 (0.57) MAOBALOX5FDFT1PRMT5
SCHEMBL21889546 0.68 AOC3 (0.61) MAOBFDFT1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 FFAR1 683/4885WDR5 394/4885MAOB 1653/4885

“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.