SCHEMBL12371065

SCHEMBL12371065

CCc1ccc(C2CCC(C3CC(=O)O3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.39
TEAD1 P28347 1/20 0.38
RORC P51449 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SPHK2 Q9NRA0 7/20 0.35

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
SCHEMBL12370994 0.87 SPHK1 (0.46) SPHK1TEAD1SPHK2
SCHEMBL12371032 0.87 NOTUM (0.38) TEAD1SMN1; SMN2
SCHEMBL12371071 0.86 SPHK1 (0.58) SPHK1ALDH1A1SPHK2
SCHEMBL12371055 0.85 SPHK1 (0.60) SPHK1ALDH1A1SPHK2
SCHEMBL9733839 0.84 SPHK1 (0.34) SPHK1RORCMEN1KMT2ANPSR1
SCHEMBL27748877 0.84 TEAD1 (0.37) SPHK1TEAD1DDB1CRBN
SCHEMBL27748833 0.84 TEAD1 (0.37) SPHK1TEAD1DDB1CRBN
SCHEMBL27770197 0.84 TEAD1 (0.37) SPHK1TEAD1DDB1CRBN
SCHEMBL27748831 0.84 TEAD1 (0.37) SPHK1TEAD1DDB1CRBN
SCHEMBL12371000 0.83 MAP1LC3B (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 SPHK1 3618/4885TEAD1 1214/4885RORC 1614/4885

“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.