SCHEMBL10303126

SCHEMBL10303126

C=CCCOc1ccc(-c2ccc(COc3ccc(C(O)CCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.36
▸ S1PR3 Q99500 3/20 0.36
▸ FFAR1 O14842 8/20 0.33
▸ PPARD Q03181 5/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ GABRA1 P14867 3/20 0.31
▸ GABRB2 P47870 3/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL10303082 0.96 S1PR1 (0.38) S1PR1S1PR3FFAR1PPARDFFAR4
SCHEMBL12717086 0.90 S1PR1 (0.35) S1PR1S1PR3FFAR1PPARDFFAR4
SCHEMBL10303118 0.90 FFAR1 (0.40) S1PR1S1PR3FFAR1PPARDFFAR4
SCHEMBL10303111 0.90 FFAR1 (0.35) FFAR1PPARDFFAR4KDM4EMAPT
SCHEMBL10303057 0.89 GABRA1 (0.33) FFAR4KDM4EMAPTCNR2CNR1
SCHEMBL12717227 0.87 S1PR1 (0.37) S1PR1S1PR3FFAR1PPARDFFAR4
SCHEMBL10303120 0.86 CNR2 (0.35) S1PR1S1PR3FFAR1PPARDFFAR4
SCHEMBL10303021 0.86 S1PR1 (0.39) S1PR1S1PR3FFAR1FFAR4PTPN11
SCHEMBL10303155 0.86 FFAR1 (0.34) S1PR1S1PR3FFAR1FFAR4KDM4E
SCHEMBL10303117 0.85 ERN1 (0.36) S1PR1FFAR1PPARDCNR2CNR1

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 S1PR1 1915/4885S1PR3 1056/4885FFAR1 681/4885

“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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