SCHEMBL6986597

SCHEMBL6986597

COC(=O)c1occc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL6211536 0.87 KDM4E (0.39) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL6986112 0.84 LOXL2 (0.44) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL5248861 0.84 CHRM2 (0.38) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL23631614 0.84 MAPT (0.40) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL27585394 0.81 TSHR (0.36) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL28088889 0.79 PKM (0.40) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL425251 0.76 KMT2A (0.56) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL27293844 0.76 TSHR (0.47) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL43076 0.75 KDM4E (0.53) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL28299997 0.75 KMT2A (0.39) KDM4EALDH1A1MAPTTHRBTDP1

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 4 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

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 1236/4885ALDH1A1 1026/4885MAPT 4824/4885

“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.