SCHEMBL12822932

SCHEMBL12822932

C=CCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.35
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ AAK1 Q2M2I8 1/20 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
SCHEMBL12823088 0.92 GABRA1 (0.31) GABRA1GABRB2CNR2CNR1
SCHEMBL12823453 0.92 GABRA1 (0.31) GABRA1GABRB2CNR2CNR1
SCHEMBL12822834 0.91 S1PR1 (0.33) S1PR1AAK1
SCHEMBL12823339 0.91 S1PR1 (0.33) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12823053 0.90 S1PR1 (0.37) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12822325 0.89 S1PR1 (0.32) S1PR1CYP3A4AAK1
SCHEMBL12735667 0.88 S1PR1 (0.35) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12823206 0.87 FFAR1 (0.33) S1PR1CYP3A4AAK1
SCHEMBL10303024 0.87 CNR2 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL12717207 0.87 ERN1 (0.36) S1PR1GABRA1GABRB2CYP3A4AAK1

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 S1PR1 1190/4885GABRA1 3981/4885GABRB2 4384/4885

“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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