SCHEMBL10303283

SCHEMBL10303283

CC(O)c1ccc(COc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 6/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SCN3A Q9NY46 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL12907076 0.88 GYS1 (0.32) PTGER4GYS1NR1H4FFAR1PPARD
SCHEMBL12821221 0.86 ACACA (0.33) PTGER4GYS1NR1H4S1PR3S1PR5
SCHEMBL12994821 0.86 FFAR4 (0.33) GYS1S1PR3S1PR5FFAR1FFAR4
SCHEMBL12823137 0.84 FFAR4 (0.36) PTGER4GYS1NR1H4S1PR3S1PR5
SCHEMBL12907441 0.83 BRD4 (0.34) —
SCHEMBL12836541 0.83 MAOB (0.38) MAOBACACAFFAR1FFAR4MAOA
SCHEMBL10303315 0.82 FFAR4 (0.37) GYS1MAOBFFAR1FFAR4SCN3A
SCHEMBL12908119 0.82 NAAA (0.34) GYS1NR1H4S1PR3S1PR5NAAA
SCHEMBL13586570 0.80 POLB (0.38) PTGER4GYS1NAAAFFAR1PPARD
SCHEMBL13654058 0.80 FFAR1 (0.44) PTGER4NAAAMAOBFFAR1PPARD

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-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

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 PTGER4 2899/4885GYS1 3774/4885NR1H4 1782/4885

“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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