SCHEMBL12740878

SCHEMBL12740878

C=CCOc1ccc(OCc2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 1/20 0.39
▸ FFAR1 O14842 16/20 0.36
▸ PPARD Q03181 12/20 0.36
▸ F10 P00742 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL12740917 0.96 GYS1 (0.36) GYS1FFAR1PPARDF10PPARA
SCHEMBL12740428 0.94 GYS1 (0.42) GYS1FFAR1PPARDPPARAFFAR4
SCHEMBL12740879 0.91 FFAR1 (0.35) FFAR1PPARDF10PPARAFFAR4
SCHEMBL12740881 0.90 FFAR1 (0.35) FFAR1PPARDF10PPARAFFAR4
SCHEMBL14766956 0.90 GYS1 (0.38) GYS1FFAR1PPARDF10PPARA
SCHEMBL12823577 0.90 FFAR1 (0.39) GYS1FFAR1PPARDF10PPARA
SCHEMBL12740918 0.89 FFAR1 (0.34) FFAR1PPARDF10PPARA
SCHEMBL12736459 0.89 GYS1 (0.36) GYS1FFAR1F10FFAR4
SCHEMBL12740871 0.89 FFAR1 (0.42) FFAR1PPARDF10PPARA
SCHEMBL12740833 0.89 FEN1 (0.35) GYS1FFAR4

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 GYS1 4252/4885FFAR1 247/4885PPARD 3762/4885

“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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