SCHEMBL6986648

SCHEMBL6986648

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.51
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNF P01375 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6977371 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7134856 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6984832 0.74 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6984835 0.74 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL5091684 0.73 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL24711757 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6987305 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL8626579 0.72 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6984502 0.72 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL31480810 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT

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 1026/4885KMT2A 2350/4885MEN1 4556/4885

“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.