SCHEMBL12719036

SCHEMBL12719036

C=CCCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.33
▸ GABRB2 P47870 4/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 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
SCHEMBL12716513 1.00 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1CTSL
SCHEMBL12821360 0.96 CNR2 (0.35) GABRA1GABRB2CNR2CNR1CTSL
SCHEMBL12719242 0.96 CNR2 (0.35) GABRA1GABRB2CNR2CNR1CTSL
SCHEMBL12823053 0.92 S1PR1 (0.37) GABRA1GABRB2CNR2CNR1
SCHEMBL10303076 0.92 CNR2 (0.35) GABRA1GABRB2CNR2CNR1
SCHEMBL10303027 0.92 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1CTSL
SCHEMBL12821558 0.90 S1PR1 (0.38) GABRA1GABRB2CNR2CNR1
SCHEMBL12823661 0.89 GABRA1 (0.32) GABRA1GABRB2CNR2CNR1
SCHEMBL12717057 0.89 RARB (0.35) CNR2CNR1CTSLCTSSCTSK
SCHEMBL12823066 0.89 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1

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-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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 GABRA1 3981/4885GABRB2 4384/4885CNR2 686/4885

“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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