SCHEMBL12371088

SCHEMBL12371088

COC(=O)c1ccc(-c2ccc(CCC3CC(=O)O3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.49
CYP4F2 P78329 1/20 0.48
GRM2 Q14416 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CYP3A4 P08684 2/20 0.44
CHKA P35790 1/20 0.43
IDH1 O75874 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA3 P07451 1/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL13953250 0.85 MMP12 (0.46) CYP3A4SMN1; SMN2CA3ALDH1A1HSD17B10
SCHEMBL7085228 0.81 CYP3A4 (0.70) CYP4A11CYP4F2GRM2LOXL2CA1
SCHEMBL12371074 0.80 CA3 (0.45) GRM2CYP3A4SMN1; SMN2CA3ALDH1A1
SCHEMBL9133875 0.80 CYP4A11 (0.57) CYP4A11CYP4F2LOXL2CA12CA1
SCHEMBL12371076 0.78 CYP3A4 (0.51) GRM2CYP3A4CA3
SCHEMBL11061031 0.76 CYP4A11 (0.49) CYP4A11CYP4F2LOXL2CA12CA1
SCHEMBL11061034 0.76 CYP4A11 (0.49) CYP4A11CYP4F2LOXL2CA12CA1
SCHEMBL11064341 0.75 CYP4A11 (0.49) CYP4A11CYP4F2GRM2LOXL2CA12
SCHEMBL11064346 0.75 CYP4A11 (0.49) CYP4A11CYP4F2GRM2LOXL2CA12
SCHEMBL12656086 0.75 RARB (0.68) CYP4A11CYP4F2LOXL2CA12CA1

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 4 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

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 CYP4A11 118/4885CYP4F2 59/4885GRM2 1003/4885

“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.