SCHEMBL10303284

SCHEMBL10303284

C=CCCCOc1ccc(-c2ccc(OCc3ccc(C(O)CCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RET P07949 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 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
SCHEMBL10303233 0.96 RET (0.31) CNR2CNR1RET
SCHEMBL12821964 0.92 MEN1 (0.34) CNR2CNR1ALDH1A1L3MBTL1RET
SCHEMBL12719157 0.92 MEN1 (0.34) CNR2CNR1ALDH1A1L3MBTL1RET
SCHEMBL10303183 0.90 FFAR1 (0.34) RETFFAR1FFAR4
SCHEMBL10303259 0.88 FFAR1 (0.38) CNR2ALDH1A1L3MBTL1FFAR1FFAR4
SCHEMBL10303196 0.88 FFAR1 (0.37) CNR2CNR1L3MBTL1FFAR1
SCHEMBL12719442 0.88 MEN1 (0.34) CNR2CNR1RETFFAR1
SCHEMBL12822898 0.88 MEN1 (0.34) CNR2CNR1RETFFAR1
SCHEMBL10303010 0.87 CNR2 (0.34) CNR2CNR1
SCHEMBL10303090 0.87 CNR2 (0.34) CNR2CNR1ALDH1A1FFAR4

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 4 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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO 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 CNR2 2145/4885CNR1 1338/4885ALDH1A1 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.

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