SCHEMBL10303142

SCHEMBL10303142

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.36
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL12222905 1.00 CNR2 (0.36) CNR2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL11939931 0.96 CNR2 (0.34) CNR2CNR1ALOX5APFEN1
SCHEMBL11939170 0.96 CNR2 (0.34) CNR2CNR1ALOX5APFEN1
SCHEMBL10302857 0.94 CNR2 (0.38) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL12223491 0.94 CNR2 (0.38) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL12224589 0.94 CNR2 (0.33) CNR2CNR1ALOX5APFEN1
SCHEMBL10091383 0.91 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL11939353 0.90 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL11939325 0.90 CNR2 (0.36) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL12907786 0.88 CNR2 (0.35) 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 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 CNR2 2145/4885ADRA2A 2131/4885ADRA2B 2601/4885

“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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