SCHEMBL12371054

SCHEMBL12371054

O=C1CC(C2CCC(c3ccc(CCCCF)cc3)CC2)O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.44
SPHK2 Q9NRA0 7/20 0.39
TEAD1 P28347 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL12371060 0.96 SPHK1 (0.42) SPHK1SPHK2TEAD1FFAR4
SCHEMBL12371071 0.88 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL12371055 0.87 SPHK1 (0.60) SPHK1SPHK2TP53CYP3A4
SCHEMBL13953357 0.87 SPHK1 (0.44) SPHK1SPHK2TEAD1FFAR4
SCHEMBL12371019 0.85 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL12370994 0.81 SPHK1 (0.46) SPHK1SPHK2TEAD1
SCHEMBL12371032 0.81 NOTUM (0.38) TEAD1CYP3A4CYP2C19
SCHEMBL12371065 0.79 SPHK1 (0.39) SPHK1SPHK2TEAD1MEN1KMT2A
SCHEMBL12370993 0.77 MAP1LC3B (0.39)
SCHEMBL12370943 0.76 MAP1LC3B (0.38)

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 SPHK1 3618/4885SPHK2 2477/4885TEAD1 1214/4885

“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.