SCHEMBL12371014

SCHEMBL12371014

O=C1CC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.33
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOB P27338 3/20 0.31
FASN P49327 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL12371011 0.86 NOTUM (0.34) CYP3A4CYP2C9APP
SCHEMBL12370984 0.85 GRM2 (0.30) GRM2
SCHEMBL12370951 0.84
SCHEMBL18392484 0.84 CYP3A4 (0.36) CYP3A4CYP2C9APPAKR1A1AKR1B1
SCHEMBL12371015 0.83
SCHEMBL12370982 0.83 USP5 (0.36)
SCHEMBL12370948 0.81 USP5 (0.35)
SCHEMBL12371066 0.80 SIRT2 (0.40)
SCHEMBL12371064 0.79 KDM1A (0.41) GRM2CYP2C9CYP2C19
SCHEMBL12371068 0.79 PIM1 (0.35)

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 GRM2 1003/4885CYP3A4 69/4885CYP2C9 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.