SCHEMBL6979701

SCHEMBL6979701

CCOC(=O)/C=C/c1ccc(OCCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
TTR P02766 4/20 0.53
AKR1B10 O60218 5/20 0.52
AKR1B1 P15121 5/20 0.52
ALOX5 P09917 2/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
AKR1C3 P42330 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
ERBB2 P04626 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
SCHEMBL6979703 1.00 FDPS (0.53) FDPSTTRAKR1B10AKR1B1ALOX5
SCHEMBL6984691 0.85 FDPS (0.57) FDPSTTRRAB9ACYP3A4KDM4E
SCHEMBL6984693 0.85 FDPS (0.57) FDPSTTRRAB9ACYP3A4KDM4E
SCHEMBL6980403 0.83 AKR1B10 (0.50) FDPSTTRAKR1B10AKR1B1ALOX5
SCHEMBL6980407 0.83 AKR1B10 (0.50) FDPSTTRAKR1B10AKR1B1ALOX5
SCHEMBL16096495 0.81 ALDH1A1 (0.48) RAB9AMEN1ALDH1A1LMNAMAPT
SCHEMBL6980418 0.81 FDPS (0.64) FDPSTTRMEN1ALDH1A1LMNA
SCHEMBL6980423 0.81 FDPS (0.64) FDPSTTRMEN1ALDH1A1LMNA
SCHEMBL6984784 0.79 MAPT (0.60) TTRRAB9AKDM4EMEN1ALDH1A1
SCHEMBL6980310 0.78 TTR (0.51) FDPSTTRRAB9ACYP3A4MAPK1

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 FDPS 296/4885TTR 4715/4885AKR1B10 227/4885

“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.