SCHEMBL12735599

SCHEMBL12735599

C=CCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.35
FFAR1 O14842 4/20 0.34
CNR2 P34972 2/20 0.33
GABRA1 P14867 4/20 0.32
GABRB2 P47870 4/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CNR1 P21554 1/20 0.31
CHKA P35790 1/20 0.31

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
SCHEMBL12740118 1.00 FFAR4 (0.35) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL12740120 0.96 CNR2 (0.35) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL12735607 0.96 CNR2 (0.35) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL10301932 0.92 CNR2 (0.33) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12735667 0.91 S1PR1 (0.35) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL10302013 0.90 CNR2 (0.36) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL12738862 0.89 CNR2 (0.31) CNR2GABRA1GABRB2
SCHEMBL14766597 0.89 CNR2 (0.36) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL14766167 0.89 CNR2 (0.36) FFAR4FFAR1CNR2GABRA1GABRB2
SCHEMBL12740116 0.89 CTSS (0.37) FFAR4FFAR1GABRA1GABRB2CTSL

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 FFAR4 546/4885FFAR1 247/4885CNR2 686/4885

“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.