SCHEMBL12371081

SCHEMBL12371081

CCCc1ccc(-c2ccc(CCC3CC(=O)O3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.45
CYP3A4 P08684 2/20 0.43
RARB P10826 7/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.37
PLK1 P53350 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL12371074 0.87 CA3 (0.45) CA3CYP3A4ALDH1A1TDP1
SCHEMBL12371076 0.85 CYP3A4 (0.51) CA3CYP3A4MGLL
SCHEMBL12371078 0.85 CYP3A4 (0.51) CA3CYP3A4MGLL
SCHEMBL13953250 0.83 MMP12 (0.46) CA3CYP3A4RARBALDH1A1MEN1
SCHEMBL12395800 0.80 TSHR (0.48) CA3CYP3A4MEN1KMT2AMAOA
SCHEMBL12371077 0.80 MAOB (0.47) CA3CYP3A4MAOB
SCHEMBL12371088 0.80 CYP4A11 (0.49) CA3CYP3A4ALDH1A1MAPT
SCHEMBL12376103 0.80 CYP3A4 (0.39) CYP3A4ALDH1A1MCL1TDP1
SCHEMBL8352429 0.78 CYP3A4 (0.60) CA3CYP3A4
SCHEMBL12371075 0.74 SIRT2 (0.39) CA3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 69/4885RARB 2013/4885

“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.