SCHEMBL12740693

SCHEMBL12740693

C=CCCOc1ccc(OCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
FFAR1 O14842 12/20 0.37
PPARD Q03181 7/20 0.37
HPGD P15428 2/20 0.35
PPARA Q07869 1/20 0.33

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
SCHEMBL12740659 0.96 FFAR1 (0.39) SCN9AFFAR1PPARDHPGDPPARA
SCHEMBL12740694 0.95 SCN9A (0.39) SCN9AFFAR1PPARDHPGDPPARA
SCHEMBL12735935 0.94 SCN9A (0.40) SCN9AFFAR1PPARDHPGD
SCHEMBL12740661 0.91 FFAR1 (0.38) SCN9AFFAR1PPARDHPGDPPARA
SCHEMBL12735953 0.90 SCN9A (0.39) SCN9AFFAR1PPARDHPGD
SCHEMBL12740690 0.90 SCN9A (0.41) SCN9AFFAR1PPARDHPGDPPARA
SCHEMBL14767211 0.89 FFAR1 (0.35) SCN9AFFAR1PPARDPPARA
SCHEMBL12740658 0.88 FFAR1 (0.40) SCN9AFFAR1PPARDHPGDPPARA
SCHEMBL12822350 0.88 FFAR1 (0.40) FFAR1PPARD
SCHEMBL12740684 0.88 SCN9A (0.42) SCN9AFFAR1PPARDHPGDPPARA

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 SCN9A 2503/4885FFAR1 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.