SCHEMBL12759383

SCHEMBL12759383

C/C=C/c1ccc(C2CCC(COc3ccc(OC)c(F)c3F)OC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.33
SGPL1 O95470 1/20 0.33
S1PR1 P21453 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
FPR2 P25090 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
SCHEMBL12759391 0.93 ALOX5 (0.36) ALOX5ALDH1A1FPR2
SCHEMBL12759399 0.90 ALOX5 (0.34) ALOX5ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12759408 0.89 ALOX5 (0.34) ALOX5ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12759382 0.88 ALOX5 (0.34) ALOX5ALDH1A1SGPL1S1PR1FPR2
SCHEMBL12759379 0.84 ALOX5 (0.44) ALOX5SGPL1S1PR1FPR2
SCHEMBL12759378 0.84 ALOX5 (0.40) ALOX5ALDH1A1SGPL1S1PR1FPR2
SCHEMBL12759384 0.82 ALOX5 (0.41) ALOX5
SCHEMBL12759381 0.82 ALOX5 (0.42) ALOX5
SCHEMBL12759380 0.81 SPHK1 (0.43) ALOX5
SCHEMBL12759392 0.81 ALOX5 (0.34) ALOX5ALDH1A1FPR2

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 1008/4885ALDH1A1 4178/4885MAPT 375/4885

“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.