SCHEMBL12759397

SCHEMBL12759397

CCCCCc1ccc(C2CCC(COc3ccc(OCCC)c(F)c3F)OC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
ALOX5 P09917 1/20 0.41
SPHK2 Q9NRA0 7/20 0.39
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ENPP2 Q13822 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
SCHEMBL12759406 0.97 SPHK1 (0.44) SPHK1ALOX5SPHK2THRATHRB
SCHEMBL12759396 0.97 ALOX5 (0.42) SPHK1ALOX5SPHK2FFAR4
SCHEMBL12759390 0.94 SPHK1 (0.44) SPHK1ALOX5SPHK2THRATHRB
SCHEMBL12759403 0.94 ALOX5 (0.43) SPHK1ALOX5SPHK2FFAR4
SCHEMBL12759395 0.93 ALOX5 (0.44) SPHK1ALOX5
SCHEMBL12759380 0.92 SPHK1 (0.43) SPHK1ALOX5SPHK2THRATHRB
SCHEMBL12759402 0.92 ALOX5 (0.43) SPHK1ALOX5SPHK2
SCHEMBL12759389 0.91 ALOX5 (0.44) SPHK1ALOX5SPHK2FFAR4
SCHEMBL12759394 0.89 ALOX5 (0.39) ALOX5
SCHEMBL12759381 0.89 ALOX5 (0.42) SPHK1ALOX5SPHK2FFAR4

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-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 SPHK1 750/4885ALOX5 1008/4885SPHK2 209/4885

“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.