SCHEMBL10301715

SCHEMBL10301715

C=CCCCOc1ccc(-c2ccc(/C=C/c3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.36
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFE2L2 Q16236 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ERN1 O75460 2/20 0.31
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL10301713 0.95 TUBB1 (0.36) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301712 0.89 TUBB1 (0.39) TUBB1NFE2L2ERN1
SCHEMBL10301704 0.88 S1PR1 (0.39) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL12734721 0.88 NFE2L2 (0.37) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301705 0.87 TUBB1 (0.37) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301703 0.87 TUBB1 (0.43) TUBB1NFE2L2ERN1FFAR1PPARG
SCHEMBL10301684 0.86 APP (0.32) APP
SCHEMBL10301711 0.86 S1PR1 (0.38) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301710 0.86 S1PR1 (0.38) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL14765708 0.83 AHR (0.38) TUBB1FFAR1PPARGPPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 TUBB1 548/4885APP 2577/4885ALDH1A1 1806/4885

“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.