SCHEMBL12371077

SCHEMBL12371077

O=C1CC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
CA3 P07451 1/20 0.42
KIF11 P52732 1/20 0.42
FDFT1 P37268 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
DAO P14920 6/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL12371078 0.81 CYP3A4 (0.51) CA3DAOCYP3A4
SCHEMBL12371076 0.81 CYP3A4 (0.51) CA3DAOCYP3A4
SCHEMBL12371081 0.80 CA3 (0.45) MAOBCA3CYP3A4
SCHEMBL12371074 0.80 CA3 (0.45) CA3TAAR1DAOCYP3A4
SCHEMBL13953250 0.77 MMP12 (0.46) CA3CYP3A4
SCHEMBL18214367 0.76 CYP3A4 (0.70) MAOBTAAR1DAOCYP3A4
SCHEMBL2351809 0.76 TAAR1 (0.50) MAOBTAAR1
SCHEMBL8352429 0.74 CYP3A4 (0.60) CA3CYP3A4
SCHEMBL12371088 0.73 CYP4A11 (0.49) CA3CYP3A4
SCHEMBL11399001 0.72 DAO (0.40) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 MAOB 184/4885CA3 1873/4885KIF11 1495/4885

“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.