SCHEMBL12759379

SCHEMBL12759379

CCCc1ccc(C2CCC(COc3ccc(OC)c(F)c3F)OC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
DRD4 P21917 7/20 0.34
FPR2 P25090 3/20 0.33
SPHK1 Q9NYA1 2/20 0.33
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 1/20 0.32
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 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
SCHEMBL12759381 0.94 ALOX5 (0.42) ALOX5DRD4SPHK1SLC6A3
SCHEMBL12759388 0.93 ALOX5 (0.45) ALOX5DRD4SPHK1SLC6A2SLC6A4
SCHEMBL12759380 0.93 SPHK1 (0.43) ALOX5SPHK1
SCHEMBL12759395 0.91 ALOX5 (0.44) ALOX5DRD4FPR2SPHK1KCNH2
SCHEMBL12759378 0.91 ALOX5 (0.40) ALOX5DRD4FPR2KCNH2SIGMAR1
SCHEMBL12759402 0.90 ALOX5 (0.43) ALOX5DRD4SPHK1
SCHEMBL12759384 0.88 ALOX5 (0.41) ALOX5DRD4KCNH2SIGMAR1DRD2
SCHEMBL12759389 0.87 ALOX5 (0.44) ALOX5DRD4SPHK1
SCHEMBL12759390 0.86 SPHK1 (0.44) ALOX5DRD4SPHK1
SCHEMBL12759403 0.86 ALOX5 (0.43) ALOX5SPHK1

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 ALOX5 1008/4885DRD4 186/4885FPR2 1553/4885

“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.