SCHEMBL12740909

SCHEMBL12740909

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
PPARD Q03181 11/20 0.40
PPARA Q07869 3/20 0.40
NAAA Q02083 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL12740895 0.92 FFAR1 (0.39) FFAR1PPARDPPARANAAAALOX5AP
SCHEMBL12740869 0.92 FFAR1 (0.41) FFAR1PPARDPPARANAAA
SCHEMBL12736424 0.92 FFAR1 (0.40) FFAR1PPARDPPARANAAAALOX5AP
SCHEMBL12740910 0.91 PPARD (0.43) FFAR1PPARDPPARAALOX5APFEN1
SCHEMBL12740870 0.90 FFAR1 (0.43) FFAR1PPARDPPARA
SCHEMBL12823904 0.89 FFAR1 (0.41) FFAR1PPARDPPARANAAAALOX5AP
SCHEMBL12740420 0.89 GYS1 (0.43) FFAR1PPARDPPARA
SCHEMBL12740899 0.88 FFAR1 (0.37) FFAR1PPARDPPARANAAA
SCHEMBL12740824 0.87 FEN1 (0.40) NAAAALOX5APFEN1HTR1ASLC6A2
SCHEMBL12736260 0.87 FEN1 (0.40) NAAAALOX5APFEN1HTR1ASLC6A2

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 3762/4885PPARA 3603/4885

“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.