SCHEMBL12823313

SCHEMBL12823313

CCOc1ccc(OCC2CCC(c3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.40
PPARD Q03181 8/20 0.40
SCN9A Q15858 1/20 0.37
PPARA Q07869 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
SCHEMBL13586387 0.96 FFAR1 (0.42) FFAR1PPARDPPARA
SCHEMBL12823404 0.94 FFAR1 (0.40) FFAR1PPARDSCN9A
SCHEMBL12822814 0.92 FFAR1 (0.45) FFAR1PPARDSCN9A
SCHEMBL14766712 0.91 FFAR1 (0.40) FFAR1PPARDPPARA
SCHEMBL12740674 0.91 FFAR1 (0.41) FFAR1PPARDPPARA
SCHEMBL12740683 0.90 SCN9A (0.44) FFAR1PPARDSCN9APPARA
SCHEMBL12823862 0.90 FFAR1 (0.45) FFAR1PPARDPPARA
SCHEMBL12740682 0.89 FFAR1 (0.42) FFAR1PPARDPPARA
SCHEMBL12740676 0.89 FFAR1 (0.40) FFAR1PPARDSCN9APPARA
SCHEMBL10303242 0.88 FFAR1 (0.43) FFAR1PPARDSCN9A

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 3 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
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 FFAR1 247/4885PPARD 3762/4885SCN9A 2503/4885

“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.