SCHEMBL12371024

SCHEMBL12371024

COc1ccc(-c2ccc(C3CCC(C4CC(=O)O4)CC3)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
CYP3A4 P08684 4/20 0.40
CYP19A1 P11511 4/20 0.40
CASR P41180 1/20 0.40
APP P05067 3/20 0.39
CYP2C9 P11712 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL12371048 0.83 ALDH1A1 (0.44) MAOBCYP3A4CYP19A1ALDH1A1MAPK1
SCHEMBL12370950 0.80 ALDH1A1 (0.40) MAOBCYP19A1ALDH1A1MAPK1KDM4E
SCHEMBL12371014 0.78 GRM2 (0.34) MAOBCYP3A4APPCYP2C9CYP2C19
SCHEMBL12371018 0.76 GRM2 (0.35) CYP3A4KMT2AGRM2GAAMAPT
SCHEMBL12371011 0.76 NOTUM (0.34) CYP3A4APPCYP2C9KMT2AGAA
SCHEMBL12371016 0.76 TNKS (0.37) MAOBMEN1KMT2AGAAMAPT
SCHEMBL12370962 0.75 GRM2 (0.34) CYP3A4KMT2AGRM2GAAMAPT
SCHEMBL12371013 0.75 FPR2 (0.34) GRM2
SCHEMBL12371032 0.74 NOTUM (0.38) CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL19721858 0.74 CYP2C9 (0.39) CYP3A4CASRAPPCYP2C9CYP2C19

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 MAOB 184/4885CYP3A4 69/4885CYP19A1 108/4885

“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.