SCHEMBL6980304

SCHEMBL6980304

CCOC(=O)/C=C/c1ccc(OC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
DPP4 P27487 1/20 0.51
FDPS P14324 1/20 0.51
MAOB P27338 1/20 0.50
PDK1 Q15118 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.44
BACE1 P56817 1/20 0.43
PTGS2 P35354 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43

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
SCHEMBL6980310 1.00 TTR (0.51) TTRDPP4FDPSMAOBPDK1
SCHEMBL6980418 0.87 FDPS (0.64) TTRDPP4FDPSMAOBCA12
SCHEMBL6980423 0.87 FDPS (0.64) TTRDPP4FDPSMAOBCA12
SCHEMBL6984691 0.87 FDPS (0.57) TTRDPP4FDPSMAOBCA12
SCHEMBL6984693 0.87 FDPS (0.57) TTRDPP4FDPSMAOBCA12
SCHEMBL6986141 0.83 TTR (0.58) TTRDPP4FDPSMAOBCA12
SCHEMBL6986144 0.83 TTR (0.58) TTRDPP4FDPSMAOBCA12
SCHEMBL12238295 0.82 TTR (0.54) TTRDPP4FDPSMAOBCA12
SCHEMBL11214208 0.82 TTR (0.68) TTRDPP4FDPSMAOBCA12
SCHEMBL11214203 0.82 TTR (0.68) TTRDPP4FDPSMAOBCA12

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
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 TTR 4715/4885DPP4 1360/4885FDPS 296/4885

“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.