SCHEMBL12907786

SCHEMBL12907786

CCCC(O)c1ccc(OCC2CCC(c3ccc(C4CO4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.35
▸ FPR2 P25090 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ FFAR1 O14842 3/20 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
SCHEMBL12836038 0.96 CNR2 (0.33) CNR2FPR2CNR1ALOX5APFEN1
SCHEMBL12836495 0.96 CNR2 (0.33) CNR2FPR2CNR1ALOX5APFEN1
SCHEMBL10302857 0.92 CNR2 (0.38) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL12223491 0.92 CNR2 (0.38) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL10091383 0.89 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL12836496 0.89 FPR2 (0.33) CNR2FPR2SCN9AFEN1
SCHEMBL12836512 0.89 CNR2 (0.36) CNR2FPR2PDE4BALOX5APFEN1
SCHEMBL12836054 0.89 CNR2 (0.36) CNR2FPR2PDE4BALOX5APFEN1
SCHEMBL11939353 0.88 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL10303142 0.88 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1

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-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 2145/4885FPR2 2267/4885HTR2A 1823/4885

“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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