SCHEMBL12739999

SCHEMBL12739999

COc1ccc(CCc2ccc(-c3ccc(C4CCC(CO)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.37
NAAA Q02083 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.34
DRD4 P21917 2/20 0.34
FPR2 P25090 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL12739988 0.92 NAAA (0.36) FFAR4NAAACYP17A1CYP19A1DRD4
SCHEMBL12740002 0.90 FFAR4 (0.39) FFAR4NAAAALOX5APFEN1FPR2
SCHEMBL12823732 0.88 NAAA (0.41) FFAR4NAAAALOX5APFEN1CYP17A1
SCHEMBL12740420 0.88 GYS1 (0.43) FFAR4
SCHEMBL12739860 0.88 FFAR4 (0.38) FFAR4NAAAALOX5APFEN1CYP17A1
SCHEMBL12739990 0.87 LYPLA1 (0.36) FFAR4NAAA
SCHEMBL12739718 0.87 CA1 (0.36)
SCHEMBL12739956 0.87 FFAR4 (0.36) FFAR4ALOX5APFEN1FPR2
SCHEMBL12735280 0.87 FFAR4 (0.36) FFAR4ALOX5APFEN1FPR2
SCHEMBL12740869 0.86 FFAR1 (0.41) FFAR4NAAA

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 546/4885NAAA 3997/4885ALOX5AP 1673/4885

“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.