SCHEMBL12740490

SCHEMBL12740490

CCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 6/20 0.43
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1C Q13936 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CACNA2D1 P54289 1/20 0.35
RET P07949 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL12737020 1.00 FFAR1 (0.43) FFAR1FFAR4MAPTTSHRNPSR1
SCHEMBL14766253 0.93 FFAR1 (0.41) FFAR1FFAR4MAPTTSHRCACNA1C
SCHEMBL14767163 0.93 FFAR1 (0.41) FFAR1FFAR4MAPTTSHRCACNA1C
SCHEMBL12740493 0.91 FFAR1 (0.41) FFAR1FFAR4MAPTTSHRNPSR1
SCHEMBL12737022 0.91 FFAR1 (0.41) FFAR1FFAR4MAPTTSHRNPSR1
SCHEMBL10302450 0.91 FFAR1 (0.36) FFAR1FFAR4CACNA1CCYP1A2CYP2D6
SCHEMBL10302498 0.91 FFAR1 (0.39) FFAR1FFAR4CACNA1CCYP1A2CYP2D6
SCHEMBL12737090 0.91 FFAR1 (0.42) FFAR1FFAR4MAPTTSHRNPSR1
SCHEMBL12823203 0.90 LMNA (0.39) FFAR1FFAR4MAPTL3MBTL1ADORA3
SCHEMBL13586554 0.90 LMNA (0.39) FFAR1FFAR4MAPTL3MBTL1ADORA3

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 FFAR1 247/4885FFAR4 546/4885MAPT 1075/4885

“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.