SCHEMBL13040211

SCHEMBL13040211

CC(C)(C)OC(=O)N1C(OP(=O)(Oc2ccccc2)Oc2ccccc2)=COCC1CCCCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KLK7 P49862 6/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GPR119 Q8TDV5 4/20 0.34
YAP1 P46937 2/20 0.33
PPARA Q07869 1/20 0.33
KLK5 Q9Y337 4/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
GHSR Q92847 1/20 0.32

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
SCHEMBL13040204 1.00 L3MBTL1 (0.39) L3MBTL1KLK7ITGB3ITGA2BGPR119
SCHEMBL30855078 0.89 KLK7 (0.36) L3MBTL1KLK7YAP1PPARAKLK5
SCHEMBL3411574 0.89 ITGB3 (0.35) L3MBTL1ITGB3ITGA2B
SCHEMBL3407057 0.89 ITGB3 (0.35) L3MBTL1ITGB3ITGA2B
SCHEMBL31043213 0.78 USP30 (0.35) KLK7GPR119KLK5PRSS1PRSS2
SCHEMBL21911497 0.78 USP30 (0.35) KLK7GPR119KLK5PRSS1PRSS2
SCHEMBL13040212 0.77 L3MBTL1 (0.38) L3MBTL1KLK7ITGB3ITGA2BGPR119
SCHEMBL13040206 0.77 L3MBTL1 (0.38) L3MBTL1KLK7ITGB3ITGA2BGPR119
SCHEMBL3410203 0.76 L3MBTL1 (0.44) L3MBTL1KLK7PPARAKLK5PRSS1
SCHEMBL13040201 0.76 L3MBTL1 (0.44) L3MBTL1KLK7PPARAKLK5PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US 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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 L3MBTL1 4836/4885KLK7 2555/4885ITGB3 4793/4885

“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.