SCHEMBL10303111

SCHEMBL10303111

C=CCCOc1ccc(-c2ccc(COc3ccc(C(O)CCC)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.35
▸ PPARD Q03181 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL10303120 0.96 CNR2 (0.35) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL10303219 0.91 FFAR1 (0.36) FFAR1PPARDCNR2CNR1GABRA1
SCHEMBL10303134 0.90 FFAR1 (0.40) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL10303126 0.90 S1PR1 (0.36) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL10303121 0.89 KDM4E (0.35) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL10303057 0.89 GABRA1 (0.33) KDM4EMAPTCNR2CNR1GABRA1
SCHEMBL13654170 0.89 MEN1 (0.33) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12823600 0.89 FFAR1 (0.36) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12717086 0.87 S1PR1 (0.35) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL10303201 0.86 PTGES (0.33) CNR2CNR1GABRA1GABRB2

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 FFAR1 681/4885PPARD 3874/4885KDM4E 2638/4885

“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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