SCHEMBL10303140

SCHEMBL10303140

C=CCCOc1ccc(-c2ccc(COc3ccc(C(C)O)cc3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ ERN1 O75460 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GABRA1 P14867 3/20 0.31
▸ GABRB2 P47870 3/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ CASR P41180 1/20 0.31
▸ APP P05067 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ PTGS2 P35354 2/20 0.30
▸ PTGES O14684 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CTSA P10619 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
SCHEMBL12717207 0.94 ERN1 (0.36) MRGPRX4FFAR1ERN1FFAR4GABRA1
SCHEMBL12822929 0.93 FFAR4 (0.33) FFAR4GABRA1GABRB2CASRCNR2
SCHEMBL12823103 0.93 FFAR4 (0.33) FFAR4GABRA1GABRB2CASRCNR2
SCHEMBL10303127 0.90 MRGPRX4 (0.37) MRGPRX4FFAR1ERN1FFAR4S1PR5
SCHEMBL12822853 0.89 FFAR1 (0.38) FFAR1
SCHEMBL12823867 0.89 FFAR1 (0.36) MRGPRX4FFAR1CASR
SCHEMBL10303094 0.89 FFAR1 (0.35) MRGPRX4FFAR1ERN1FFAR4GABRA1
SCHEMBL12717334 0.88 CASR (0.36) FFAR1FFAR4CASRAPPCYP3A4
SCHEMBL12822541 0.87 FFAR1 (0.38) MRGPRX4FFAR1
SCHEMBL10303024 0.87 CNR2 (0.33) GABRA1GABRB2CASRAPPCYP2C19

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 4 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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 MRGPRX4 4652/4885FFAR1 681/4885ERN1 837/4885

“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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