SCHEMBL10303118

SCHEMBL10303118

CCCC(O)c1ccc(OCc2ccc(-c3ccc(OCC)cc3F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.40
▸ PPARD Q03181 4/20 0.40
▸ S1PR1 P21453 3/20 0.36
▸ S1PR3 Q99500 3/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ HMOX1 P09601 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10303119 0.91 ABCB1 (0.38) FFAR4MAPT
SCHEMBL10303126 0.90 S1PR1 (0.36) FFAR1PPARDS1PR1S1PR3FFAR4
SCHEMBL10303082 0.90 S1PR1 (0.38) FFAR1PPARDS1PR1S1PR3FFAR4
SCHEMBL10303124 0.88 FFAR1 (0.41) FFAR1PPARDS1PR1S1PR3PTGS2
SCHEMBL10303134 0.88 FFAR1 (0.40) FFAR1PPARDMAOBKDM4EMAPT
SCHEMBL10302845 0.87 FFAR4 (0.35) S1PR1S1PR3FFAR4KDM4EMAPT
SCHEMBL10303053 0.84 S1PR1 (0.40) FFAR1S1PR1S1PR3PTGS2FFAR4
SCHEMBL10303194 0.84 FFAR1 (0.39) FFAR1PPARDS1PR1S1PR3PTGS2
SCHEMBL14765896 0.83 FFAR1 (0.46) FFAR1PPARDS1PR1S1PR3PTGS2
SCHEMBL10303161 0.83 FFAR4 (0.33) FFAR4KDM4EMAPTMAPK1NPC1

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 FFAR1 681/4885PPARD 3874/4885S1PR1 1915/4885

“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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