SCHEMBL12759394

SCHEMBL12759394

CCCOc1ccc(OCC2CCC(c3ccc(CC)cc3)CO2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
DRD4 P21917 3/20 0.33
FPR2 P25090 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
KCNH2 Q12809 1/20 0.31
PDE4A P27815 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL12759401 0.94 ALOX5 (0.39) ALOX5DRD4ALDH1A1GLAKCNH2
SCHEMBL12759395 0.92 ALOX5 (0.44) ALOX5DRD4FPR2HTR2CHTR2B
SCHEMBL12759385 0.92 ALOX5 (0.41) ALOX5DRD4FPR2HTR2BHTR2A
SCHEMBL12759396 0.90 ALOX5 (0.42) ALOX5
SCHEMBL12759378 0.90 ALOX5 (0.40) ALOX5DRD4FPR2ALDH1A1GLA
SCHEMBL12759397 0.89 SPHK1 (0.43) ALOX5
SCHEMBL12759402 0.87 ALOX5 (0.43) ALOX5DRD4
SCHEMBL12759403 0.87 ALOX5 (0.43) ALOX5
SCHEMBL12759400 0.87 ALOX5 (0.39) ALOX5GABRA1GABRB2
SCHEMBL12759406 0.86 SPHK1 (0.44) ALOX5

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.