SCHEMBL12371018

SCHEMBL12371018

O=C1CC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
NOTUM Q6P988 1/20 0.34
PGR P06401 3/20 0.34
P2RY14 Q15391 1/20 0.34
TNKS O95271 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.32
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM1A O60341 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B2 P19099 1/20 0.31
SCD5 Q86SK9 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL12370962 0.99 GRM2 (0.34) GRM2NOTUMPGRP2RY14TNKS
SCHEMBL12371011 0.89 NOTUM (0.34) NOTUMP2RY14TNKSTNKS2NPC1
SCHEMBL12370982 0.89 USP5 (0.36) SCD5SIRT2
SCHEMBL12370948 0.87 USP5 (0.35) SCD5SIRT2
SCHEMBL12371016 0.86 TNKS (0.37) NOTUMPGRTNKSTNKS2NPC1
SCHEMBL12371032 0.82 NOTUM (0.38) NOTUMNPC1RAB9ACYP3A4
SCHEMBL12370993 0.81 MAP1LC3B (0.39) GRM2NOTUMTDP1
SCHEMBL12395782 0.80 ESR2 (0.47) NPC1RAB9ACYP3A4
SCHEMBL12370943 0.80 MAP1LC3B (0.38) GRM2NOTUMTDP1
SCHEMBL12371095 0.80 GRM2 (0.35) GRM2P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
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 1003/4885NOTUM 3482/4885PGR 3497/4885

“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.