SCHEMBL12740528

SCHEMBL12740528

C/C=C/c1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 11/20 0.54
▸ FFAR1 O14842 9/20 0.54
▸ PPARA Q07869 7/20 0.54
▸ PPARG P37231 5/20 0.54
▸ PTPN1 P18031 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ GYS1 P13807 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL12740978 0.94 FFAR1 (0.47) PPARDFFAR1PPARAPPARGPTPN1
SCHEMBL12741011 0.89 FFAR1 (0.47) PPARDFFAR1PPARAPPARGPTPN1
SCHEMBL12740139 0.89 FFAR1 (0.41) PPARDFFAR1PPARAPPARGTUBB1
SCHEMBL14767279 0.89 FFAR1 (0.52) PPARDFFAR1PPARAPPARGPTGES
SCHEMBL12740529 0.88 PPARD (0.50) PPARDFFAR1PPARAPPARGPTGES
SCHEMBL10302554 0.87 FFAR1 (0.42) PPARDFFAR1PPARAPPARGPTGES
SCHEMBL12717072 0.87 FFAR1 (0.40) PPARDFFAR1PPARAPPARGTUBB1
SCHEMBL10302273 0.87 TUBB1 (0.44) PPARDFFAR1PPARAPPARGTUBB1
SCHEMBL12740520 0.86 FFAR1 (0.46) PPARDFFAR1PPARAPPARGPTGES
SCHEMBL12737087 0.86 FFAR1 (0.41) PPARDFFAR1PPARAPPARGTUBB1

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PPARD 3762/4885FFAR1 247/4885PPARA 3603/4885

“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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