SCHEMBL1311657

SCHEMBL1311657

CCCCCC1CCC(C2CCC(COc3ccc(-c4ccc(OCCCC)c(F)c4F)cc3F)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.43
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PPARD Q03181 3/20 0.34
FFAR1 O14842 2/20 0.34
BRD4 O60885 1/20 0.34
GRM2 Q14416 1/20 0.34
S1PR1 P21453 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL1311188 0.95 FFAR4 (0.39) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL3267950 0.95 FFAR4 (0.43) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL1311879 0.95 FFAR4 (0.43) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL12113866 0.92 FFAR4 (0.41) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL12113788 0.92 FFAR4 (0.46) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL8932785 0.88 FFAR4 (0.38) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL1310804 0.88 FFAR4 (0.39) FFAR4TLR9TLR8TLR7PPARD
SCHEMBL3272073 0.87 FFAR4 (0.41) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL1311476 0.87 FFAR4 (0.41) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL9562435 0.87 RIPK1 (0.36) FFAR4GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.