SCHEMBL12759293

SCHEMBL12759293

C=CCCC1CCC(c2ccc(COc3ccc(OCCCC)c(F)c3F)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.41
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
CNR2 P34972 1/20 0.31
PSEN1 P49768 5/20 0.30
PPARG P37231 3/20 0.30
PTGES O14684 3/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL12759285 0.95 ALOX5 (0.42) ALOX5GABRA1GABRB2
SCHEMBL12759278 0.92 ALOX5 (0.44) ALOX5MAPTSMN1; SMN2CNR2RAB9A
SCHEMBL12759290 0.90 ALOX5 (0.46) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759289 0.90 ALOX5 (0.46) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759267 0.89 ALOX5 (0.43) ALOX5CNR2
SCHEMBL12759288 0.89 ALOX5 (0.45) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759502 0.88 ALOX5 (0.35) ALOX5RAB9A
SCHEMBL13579251 0.88 ALOX5 (0.34) ALOX5CNR2GABRA1GABRB2
SCHEMBL12759279 0.87 ALOX5 (0.45) ALOX5MEN1MAPTCRHBPHTT
SCHEMBL12759287 0.87 ALOX5 (0.41) 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 1008/4885MEN1 3564/4885MAPT 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.