SCHEMBL10303087

SCHEMBL10303087

CCCC(O)c1ccc(CCc2ccc(-c3ccc(O)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ MPL P40238 3/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ CYP17A1 P05093 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
SCHEMBL10303052 0.86 FFAR4 (0.37) RARBPDE2A
SCHEMBL10303230 0.86 MAOB (0.37) —
SCHEMBL10302991 0.85 ADRA2A (0.33) ALOX5MPL
SCHEMBL12822397 0.85 CYP17A1 (0.38) CNR1CNR2BACE1ALOX5RARB
SCHEMBL10303091 0.84 FFAR1 (0.39) —
SCHEMBL13654039 0.82 RARB (0.31) RARB
SCHEMBL10303034 0.81 ADRB2 (0.35) ALOX5RARBMPL
SCHEMBL12822688 0.79 ALOX5 (0.33) ALOX5RARBMPL
SCHEMBL12823187 0.79 ALOX5 (0.33) ALOX5RARBMPL
SCHEMBL10303092 0.79 CNR2 (0.35) CNR1CNR2RARB

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 CNR1 1338/4885CNR2 2145/4885BACE1 908/4885

“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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