SCHEMBL6984835

SCHEMBL6984835

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
RAB9A P51151 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.43
FDPS P14324 1/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6984832 1.00 ALDH1A1 (0.52) ALDH1A1RAB9AKMT2AMEN1CYP1A2
SCHEMBL6980418 0.79 FDPS (0.64) ALDH1A1KMT2AMEN1HPGDFDPS
SCHEMBL3531876 0.79 ALDH1A1 (0.46) ALDH1A1HPGDFDPSMAOBLMNA
SCHEMBL6980423 0.79 FDPS (0.64) ALDH1A1KMT2AMEN1HPGDFDPS
SCHEMBL15711568 0.76 ESR1 (0.45) ALDH1A1KMT2AMEN1CYP3A4FDPS
SCHEMBL6986648 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13470060 0.74 TTR (0.57) ALDH1A1CYP3A4HPGDMAOBTDP1
SCHEMBL24711757 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3534060 0.73 CYP1A2 (0.46) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL8482189 0.73 MAPT (0.49) ALDH1A1RAB9ACYP3A4MAOBLMNA

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 ALDH1A1 1026/4885RAB9A 3825/4885KMT2A 2350/4885

“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.