SCHEMBL8932785

SCHEMBL8932785

CCCCCC1CCC(COc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
NAAA Q02083 1/20 0.38
TLR9 Q9NR96 3/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
PPARD Q03181 4/20 0.36
FFAR1 O14842 3/20 0.36
KDM1A O60341 2/20 0.36
BRD4 O60885 1/20 0.35
S1PR1 P21453 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GRM2 Q14416 2/20 0.33
PPARA Q07869 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL12113866 0.96 FFAR4 (0.41) FFAR4NAAATLR9TLR8TLR7
SCHEMBL1311188 0.93 FFAR4 (0.39) FFAR4NAAATLR9TLR8TLR7
SCHEMBL8932793 0.92 GRM2 (0.35) FFAR4BRD4GRM2GRIN1GRIN2B
SCHEMBL22277198 0.88 SSTR5 (0.37) FFAR4PPARDFFAR1KDM1AGRM2
SCHEMBL12113787 0.88 FFAR4 (0.41) FFAR4NAAATLR9TLR8TLR7
SCHEMBL1311657 0.88 FFAR4 (0.43) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL13000851 0.88 NAAA (0.34) FFAR4NAAATLR9TLR8TLR7
SCHEMBL8970518 0.88 NAAA (0.34) FFAR4NAAATLR9TLR8TLR7
SCHEMBL8969240 0.87 NAAA (0.39) FFAR4NAAAS1PR1GRIN1GRIN2B
SCHEMBL8932755 0.87 FFAR4 (0.39) FFAR4PPARDFFAR1KDM1AS1PR1

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 FFAR4 342/4885NAAA 4128/4885TLR9 3443/4885

“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.