SCHEMBL12371092

SCHEMBL12371092

O=C1CC(CCC2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.34
DGAT1 O75907 7/20 0.33
CYP2C9 P11712 1/20 0.33
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NOTUM Q6P988 1/20 0.32
SOAT1 P35610 2/20 0.31
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL12371095 0.90 GRM2 (0.35) ESR2DGAT1CYP2C9OPRL1SOAT1
SCHEMBL8767259 0.82 ESR2 (0.43) ESR2CYP2C9OPRL1ALDH1A1LMNA
SCHEMBL8429985 0.82 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL8767263 0.82 ESR2 (0.43) ESR2CYP2C9OPRL1ALDH1A1LMNA
SCHEMBL12371011 0.80 NOTUM (0.34) CYP2C9MAPTNOTUMTNKSTNKS2
SCHEMBL9326566 0.79 CYP2C9 (0.49) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL9326571 0.79 CYP2C9 (0.49) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL9326562 0.79 CYP2C9 (0.49) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL9764302 0.78 CYP2C9 (0.42) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9764310 0.78 CYP2C9 (0.42) ESR2CYP2C9ALDH1A1LMNAMAPT

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 ESR2 852/4885DGAT1 2078/4885CYP2C9 88/4885

“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.