SCHEMBL12742425

SCHEMBL12742425

CCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.39
PPARD Q03181 6/20 0.39
FFAR4 Q5NUL3 4/20 0.37
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 1/20 0.35
F10 P00742 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
ABL1 P00519 1/20 0.33
SSTR5 P35346 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
SCHEMBL12742411 0.95 FFAR1 (0.39) FFAR1PPARDFFAR4NR1H4HPGD
SCHEMBL14767209 0.94 FFAR1 (0.41) FFAR1PPARDFFAR4HPGDCAMKK1
SCHEMBL12737357 0.94 FFAR1 (0.38) FFAR1PPARDFFAR4NR1H4HPGD
SCHEMBL12742413 0.93 FFAR1 (0.38) FFAR1PPARDFFAR4NR1H4HPGD
SCHEMBL12742357 0.93 FFAR1 (0.37) FFAR1PPARDFFAR4NR1H4HPGD
SCHEMBL12822538 0.92 FFAR1 (0.38) FFAR1PPARDFFAR4HPGDALOX5AP
SCHEMBL12742429 0.92 FFAR1 (0.38) FFAR1PPARDFFAR4HPGDALOX5AP
SCHEMBL12742424 0.91 FFAR1 (0.36) FFAR1PPARDFFAR4HPGDALOX5AP
SCHEMBL12742416 0.91 RARB (0.39) FFAR1PPARDFFAR4
SCHEMBL14767134 0.90 FFAR1 (0.43) FFAR1PPARDFFAR4HPGD

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 247/4885PPARD 3762/4885FFAR4 546/4885

“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.