SCHEMBL12823904

SCHEMBL12823904

COc1ccc(OCc2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.41
NAAA Q02083 3/20 0.40
PPARD Q03181 6/20 0.39
PPARA Q07869 2/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL12823583 0.93 FFAR1 (0.41) FFAR1NAAAPPARDPPARAALOX5AP
SCHEMBL12717036 0.93 FFAR1 (0.41) FFAR1NAAAPPARDHTR1ASLC6A2
SCHEMBL12822897 0.92 NAAA (0.43) FFAR1NAAAPPARDPPARAALOX5AP
SCHEMBL12823893 0.91 FFAR1 (0.41) FFAR1NAAAPPARDPPARA
SCHEMBL12740895 0.89 FFAR1 (0.39) FFAR1NAAAPPARDPPARAALOX5AP
SCHEMBL12740909 0.89 FFAR1 (0.41) FFAR1NAAAPPARDPPARAALOX5AP
SCHEMBL12822949 0.88 NAAA (0.41) FFAR1NAAAPPARDPPARA
SCHEMBL12822986 0.88 FEN1 (0.39) NAAAALOX5APFEN1HTR1ASLC6A2
SCHEMBL12822872 0.88 FEN1 (0.39) NAAAALOX5APFEN1HTR1ASLC6A2
SCHEMBL13586375 0.87 HTR6 (0.38) FFAR1NAAAPPARDPPARAALOX5AP

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 3 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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 247/4885NAAA 3997/4885PPARD 3762/4885

“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.