SCHEMBL12371074

SCHEMBL12371074

Cc1ccc(-c2ccc(CCC3CC(=O)O3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.45
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DAO P14920 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL12371081 0.87 CA3 (0.45) CA3CYP3A4ALDH1A1TDP1
SCHEMBL12371076 0.85 CYP3A4 (0.51) CA3CYP3A4DAOGRM2
SCHEMBL12371078 0.85 CYP3A4 (0.51) CA3CYP3A4DAOGRM2
SCHEMBL13953250 0.83 MMP12 (0.46) CA3CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL12371075 0.82 SIRT2 (0.39) CA3CYP3A4GRM2
SCHEMBL12371077 0.80 MAOB (0.47) CA3CYP3A4DAOTAAR1
SCHEMBL12371088 0.80 CYP4A11 (0.49) CA3CYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8352429 0.78 CYP3A4 (0.60) CA3CYP3A4
SCHEMBL20148117 0.75 CYP3A4 (0.78) CA3CYP3A4ALDH1A1TDP1SMN1; SMN2
SCHEMBL8804326 0.73 CYP1A2 (0.45) CYP1A2CYP2A6TAAR1

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 CA3 1873/4885CYP3A4 69/4885ALDH1A1 28/4885

“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.