SCHEMBL2546086

SCHEMBL2546086

O=C(CO[C@H]1CC[C@H](c2cc3ccc(OCC4CC4)cc3o2)CC1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
MAOB P27338 2/20 0.43
FKBP1A P62942 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
GAA P10253 2/20 0.40
PRKDC P78527 1/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 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
SCHEMBL2546088 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL2551560 0.84 TP53 (0.47) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL2551554 0.84 TP53 (0.47) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL2552421 0.84 MAOB (0.43) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL2552415 0.84 MAOB (0.43) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL2548816 0.79 ACACA (0.51) ALDH1A1KDM4EPOLBHPGDTP53
SCHEMBL14734872 0.76 MAOB (0.41) ALDH1A1KDM4EMAOBMAOA
SCHEMBL14734873 0.76 CA12 (0.41) ALDH1A1KDM4EHPGDMAPTMAOB
SCHEMBL2553358 0.76 MAOB (0.41) MAOBMAOA
SCHEMBL2553357 0.76 MAOB (0.41) MAOBMAOA

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-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP 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 ALDH1A1 583/4885KDM4E 1344/4885POLB 3979/4885

“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.