SCHEMBL10301713

SCHEMBL10301713

C=CCCOc1ccc(-c2ccc(/C=C/c3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.36
NFE2L2 Q16236 3/20 0.33
APP P05067 1/20 0.32
ERN1 O75460 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10301715 0.95 TUBB1 (0.36) TUBB1NFE2L2APPERN1ALDH1A1
SCHEMBL10301712 0.90 TUBB1 (0.39) TUBB1NFE2L2ERN1
SCHEMBL12734720 0.88 NFE2L2 (0.38) TUBB1NFE2L2APP
SCHEMBL10301704 0.87 S1PR1 (0.39) TUBB1NFE2L2APPALDH1A1MAPT
SCHEMBL10301705 0.86 TUBB1 (0.37) TUBB1NFE2L2APPALDH1A1MAPT
SCHEMBL10301703 0.85 TUBB1 (0.43) TUBB1NFE2L2ERN1
SCHEMBL10301710 0.85 S1PR1 (0.38) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301711 0.85 S1PR1 (0.38) TUBB1APPALDH1A1MAPTMAPK1
SCHEMBL10301683 0.85 APP (0.30) APP
SCHEMBL10302907 0.85 APP (0.32) TUBB1APPERN1ALDH1A1MAPT

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 548/4885NFE2L2 1646/4885APP 2577/4885

“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.