SCHEMBL12759282

SCHEMBL12759282

CCCCCC1CCC(c2ccc(COc3ccc(OCCC)c(F)c3F)cc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
SPHK1 Q9NYA1 10/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SPHK2 Q9NRA0 6/20 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
SCHEMBL12759288 0.97 ALOX5 (0.45) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759279 0.97 ALOX5 (0.45) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759269 0.94 ALOX5 (0.46) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759289 0.94 ALOX5 (0.46) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759276 0.93 ALOX5 (0.46) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759264 0.92 ALOX5 (0.44) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759290 0.92 ALOX5 (0.46) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759272 0.91 ALOX5 (0.46) ALOX5SPHK1MEN1MAPTCRHBP
SCHEMBL12759274 0.89 ALOX5 (0.42) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759259 0.89 ALOX5 (0.45) ALOX5MEN1MAPTCRHBPHTT

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 1008/4885SPHK1 750/4885MEN1 3564/4885

“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.