SCHEMBL2548484

SCHEMBL2548484

O=Cc1ccc(OCCC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2550806 0.86 TLR4 (0.49) HPGDMAPTALDH1A1TLR4TLR2
SCHEMBL1299912 0.84 HPGD (0.66) HPGDMAPTTLR4TLR2KDM4E
SCHEMBL2546524 0.81 HPGD (0.47) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL14294184 0.81 MAPT (0.54) HPGDMAPTALDH1A1TLR4TLR2
SCHEMBL4316579 0.80 MAPT (0.48) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL2338053 0.78 HPGD (0.49) HPGDMAPTALDH1A1TLR4TLR2
SCHEMBL9109238 0.77 MAPT (0.59) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL16837064 0.77 MAPT (0.42) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL7308163 0.76 SIRT5 (0.44) MAPTALDH1A1
SCHEMBL7313303 0.75 PPARA (0.46) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
CN-103025716-B Bicyclic compound derivatives and their use as acc inhibitors TAKEDA PHARMACEUTICAL 2014-12-24 CN disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB HPGD 1780/4885MAPT 3952/4885ALDH1A1 583/4885

“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.