SCHEMBL10302005

SCHEMBL10302005

C/C=C/c1ccc(CCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ TNFRSF1A P19438 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL12740097 0.90 CTSL (0.36) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12735559 0.90 CTSL (0.36) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10301995 0.89 GABRA1 (0.37) TUBB1FFAR4FGFR1FGFR2SIRT2
SCHEMBL10302527 0.88 GSK3B (0.40) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12740175 0.88 FFAR1 (0.36) TUBB1ALDH1A1FFAR4KDM4ELMNA
SCHEMBL12907042 0.87 TUBB1 (0.46) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12735649 0.86 NAAA (0.38) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10302273 0.85 TUBB1 (0.44) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL12740139 0.85 FFAR1 (0.41) TUBB1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10302004 0.85 FFAR4 (0.38) FFAR4FGFR1FGFR2NAAAFFAR1

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 3 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-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 548/4885ALDH1A1 1806/4885MAPT 836/4885

“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.

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