SCHEMBL3272073

SCHEMBL3272073

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(-c4ccc(OCCCC)c(F)c4)c(F)c3F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.41
CNR2 P34972 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CNR1 P21554 1/20 0.35
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
FFAR1 O14842 2/20 0.33
PPARD Q03181 2/20 0.33
GRM2 Q14416 1/20 0.33
BRD4 O60885 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL1311476 1.00 FFAR4 (0.41) FFAR4CNR2GABRA1GABRB2CNR1
SCHEMBL1311530 0.92 FFAR4 (0.38) FFAR4GABRA1GABRB2TLR9TLR8
SCHEMBL22277216 0.89 CNR2 (0.35) FFAR4CNR2GABRA1GABRB2CNR1
SCHEMBL1311879 0.88 FFAR4 (0.43) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL3267950 0.88 FFAR4 (0.43) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL13417702 0.88 CNR2 (0.33) FFAR4CNR2GABRA1GABRB2CNR1
SCHEMBL1311657 0.87 FFAR4 (0.43) FFAR4TLR9TLR8TLR7CCNT1
SCHEMBL22277382 0.85 CNR2 (0.36) FFAR4CNR2GABRA1GABRB2CNR1
SCHEMBL13000889 0.85 NAAA (0.38) FFAR4TLR9TLR8TLR7FFAR1
SCHEMBL12113788 0.85 FFAR4 (0.46) FFAR4TLR9TLR8TLR7FFAR1

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-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 FFAR4 634/4885CNR2 1726/4885GABRA1 4598/4885

“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.