SCHEMBL12735596

SCHEMBL12735596

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
FFAR4 Q5NUL3 5/20 0.36
FFAR1 O14842 4/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
HTR2C P28335 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTR2B P41595 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHKA P35790 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
HTR2A P28223 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL12740116 1.00 CTSS (0.37) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL10301931 0.92 CTSS (0.37) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL12735665 0.90 FFAR4 (0.36) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL10302012 0.90 FFAR4 (0.36) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL12738858 0.89 CTSS (0.35) CTSSCTSKCTSLFFAR4LMNA
SCHEMBL14767237 0.89 CTSL (0.38) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL12740120 0.89 CNR2 (0.35) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL12740118 0.89 FFAR4 (0.35) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL12735599 0.89 FFAR4 (0.35) CTSSCTSKCTSLFFAR4FFAR1
SCHEMBL14766411 0.89 CTSL (0.38) CTSSCTSKCTSLFFAR4FFAR1

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 CTSS 1879/4885CTSK 2052/4885CTSL 3010/4885

“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.