SCHEMBL12740824

SCHEMBL12740824

COc1ccc(OCc2ccc(-c3ccc(C4CCC(CO)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.40
ALOX5AP P20292 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
HTR1A P08908 3/20 0.38
FPR2 P25090 1/20 0.36
NAAA Q02083 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
HTR6 P50406 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
TRPC6 Q9Y210 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
SCHEMBL12736260 1.00 FEN1 (0.40) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12736262 0.93 SLC6A2 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740825 0.93 SLC6A2 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740815 0.92 FEN1 (0.38) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12736228 0.92 FEN1 (0.38) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12822872 0.89 FEN1 (0.39) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12822986 0.89 FEN1 (0.39) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12736349 0.88 NAAA (0.46) MRGPRX4SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12740816 0.87 FEN1 (0.36) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4
SCHEMBL12736235 0.87 FEN1 (0.36) FEN1ALOX5APMRGPRX4SLC6A2SLC6A4

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 FEN1 3340/4885ALOX5AP 1673/4885MRGPRX4 4357/4885

“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.