SCHEMBL1311530

SCHEMBL1311530

C=CC1CCC(C2CCC(COc3ccc(-c4ccc(OCC)c(F)c4F)cc3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.38
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
NAAA Q02083 1/20 0.35
KDM1A O60341 2/20 0.35
BRD4 O60885 1/20 0.35
FEN1 P39748 2/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
ALOX5AP P20292 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 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
SCHEMBL13000889 0.93 NAAA (0.38) FFAR4TLR9TLR8TLR7NAAA
SCHEMBL1311476 0.92 FFAR4 (0.41) FFAR4TLR9TLR8TLR7BRD4
SCHEMBL3272073 0.92 FFAR4 (0.41) FFAR4TLR9TLR8TLR7BRD4
SCHEMBL20803717 0.92 TLR9 (0.39) FFAR4TLR9TLR8TLR7NAAA
SCHEMBL1658516 0.89 HTR2A (0.32) KDM1ABRD4
SCHEMBL13000894 0.89 GRIN1 (0.33) FFAR4BRD4GABRA1GABRB2
SCHEMBL15723212 0.88 FFAR4 (0.35) FFAR4TLR9TLR8TLR7BRD4
SCHEMBL20803678 0.88 KDM1A (0.41) FFAR4TLR9TLR8TLR7NAAA
SCHEMBL20803601 0.88 PPARD (0.41) FFAR4NAAAKDM1AFEN1FFAR1
SCHEMBL13057737 0.88 JAK3 (0.37) FFAR4TLR9TLR8TLR7BRD4

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-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed
EP-2399896-B1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING SAME JNC CORP (JP) 2016-04-13 EP disclosed
US-8298632-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition using this and liquid crystal display device JNC CORPORATION (JP) 2012-10-30 US disclosed
EP-2399896-A1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EACH COMPRISING SAME JNC Corporation (JP) 2011-12-28 EP disclosed
US-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-11-10 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-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE PYM1, AQP1, CXCR1 FFAR4 593/4885TLR9 3495/4885TLR8 4696/4885

“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.