SCHEMBL6982655

SCHEMBL6982655

COC(=O)c1ccoc1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
CYP4A11 Q02928 4/20 0.41
CYP4F2 P78329 3/20 0.41
CFTR P13569 1/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
POLB P06746 2/20 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
SCHEMBL28327621 0.86 HSD17B10 (0.46) KDM4EGLAALDH1A1HSD17B10MAPT
SCHEMBL27522482 0.85 HSD17B10 (0.42) KDM4EGLAALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL6986015 0.83 ALDH1A1 (0.42) KDM4EGLAALDH1A1HSD17B10MAPT
SCHEMBL28422770 0.83 TSHR (0.53) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL13825394 0.82 HSD17B10 (0.48) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL21776794 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL28327634 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL2109561 0.81 HSD17B10 (0.44) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL3823759 0.81 HSD17B10 (0.44) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL2719137 0.79 HSD17B10 (0.43) KDM4EALDH1A1HSD17B10MAPTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN disclosed
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
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 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 KDM4E 1236/4885GLA 1022/4885ALDH1A1 1026/4885

“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.