SCHEMBL12759333

SCHEMBL12759333

C=CCCC1CCC(c2ccc(COc3ccc(OCCCC)c(F)c3F)cc2)OC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
PSEN1 P49768 4/20 0.33
PTGES O14684 3/20 0.33
PPARG P37231 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 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
CNR2 P34972 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL12759326 0.95 GABRA1 (0.34) ALOX5MAPTSMN1; SMN2GABRA1GABRB2
SCHEMBL12759315 0.93 KDM4E (0.34) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12759309 0.89 MRGPRX4 (0.34) PPARGNPC1RAB9A
SCHEMBL12759331 0.89 MAPT (0.35) ALOX5PSEN1PTGESPPARGMAPT
SCHEMBL12954817 0.88 CRBN (0.30)
SCHEMBL12759319 0.87 MAPT (0.33) ALOX5PSEN1PTGESPPARGMAPT
SCHEMBL12759325 0.87 MAPT (0.36) ALOX5PSEN1PTGESPPARGMAPT
SCHEMBL12759332 0.86 MEN1 (0.35) ALOX5PSEN1PTGESPPARGMAPT
SCHEMBL12759320 0.86 MEN1 (0.33) ALOX5PSEN1PTGESPPARGMAPT
SCHEMBL12759310 0.86 MAPT (0.33) ALOX5PSEN1PTGESPPARGMAPT

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 1008/4885PSEN1 2974/4885PTGES 3889/4885

“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.