SCHEMBL12371078

SCHEMBL12371078

O=C1CC(CCc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)O1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CA3 P07451 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
FFAR1 O14842 1/20 0.43
GRM2 Q14416 1/20 0.42
DAO P14920 1/20 0.42
MGLL Q99685 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FASN P49327 1/20 0.41

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
SCHEMBL12371076 1.00 CYP3A4 (0.51) CYP3A4CA3SIRT2FFAR1GRM2
SCHEMBL8352429 0.90 CYP3A4 (0.60) CYP3A4CA3SIRT2SLC6A2SLC6A4
SCHEMBL12371074 0.85 CA3 (0.45) CYP3A4CA3GRM2DAO
SCHEMBL12371081 0.85 CA3 (0.45) CYP3A4CA3MGLL
SCHEMBL13953250 0.81 MMP12 (0.46) CYP3A4CA3
SCHEMBL12371077 0.81 MAOB (0.47) CYP3A4CA3DAO
SCHEMBL12395800 0.81 TSHR (0.48) CYP3A4CA3GRM2DAO
SCHEMBL11453952 0.79 MGLL (0.52) CYP3A4FFAR1MGLLSLC6A2SLC6A4
SCHEMBL12371088 0.78 CYP4A11 (0.49) CYP3A4CA3GRM2
SCHEMBL5671815 0.75 CYP3A4 (0.54) CYP3A4CA3SIRT2SLC6A2SLC6A4

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 CYP3A4 69/4885CA3 1873/4885SIRT2 287/4885

“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.