SCHEMBL12823417

SCHEMBL12823417

C=CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(O)CCC)nc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32

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
SCHEMBL12821360 0.89 CNR2 (0.35) CNR2CNR1GABRA1GABRB2
SCHEMBL12719242 0.89 CNR2 (0.35) CNR2CNR1GABRA1GABRB2
SCHEMBL12718135 0.89 FFAR4 (0.35) GABRA1GABRB2
SCHEMBL10303010 0.89 CNR2 (0.34) CNR2CNR1GABRA1GABRB2
SCHEMBL12822352 0.88 S1PR1 (0.34) CNR2CNR1GABRA1GABRB2
SCHEMBL12823661 0.88 GABRA1 (0.32) CNR2CNR1GABRA1GABRB2
SCHEMBL12822838 0.87 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL12719036 0.86 GABRA1 (0.33) CNR2CNR1GABRA1GABRB2
SCHEMBL12716513 0.86 GABRA1 (0.33) CNR2CNR1GABRA1GABRB2
SCHEMBL10303027 0.85 GABRA1 (0.33) CNR2CNR1GABRA1GABRB2

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CNR2 686/4885CNR1 582/4885GABRA1 3981/4885

“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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