SCHEMBL19804642

SCHEMBL19804642

C=CC(=O)OCCOc1cc(CO)ccc1-c1ccc(C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
THRB P10828 1/20 0.39
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 4/20 0.38
S1PR3 Q99500 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
APP P05067 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
NAAA Q02083 1/20 0.35
ASAH1 Q13510 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A9 P48067 1/20 0.34
PTGDR Q13258 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
SCHEMBL19804569 0.93 FFAR4 (0.42) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19804486 0.91 FFAR4 (0.44) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19804596 0.88 FFAR4 (0.42) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19804813 0.87 FFAR4 (0.45) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19804158 0.86 THRB (0.43) FFAR4THRBCYP3A4CYP2C9APP
SCHEMBL19804618 0.86 FFAR4 (0.44) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19804146 0.85 FFAR4 (0.41) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804568 0.84 THRB (0.46) FFAR4THRBCYP3A4CYP2C9APP
SCHEMBL19804667 0.84 FFAR4 (0.43) FFAR4THRBS1PR1S1PR5S1PR3
SCHEMBL19796834 0.84 THRB (0.36) FFAR4THRBCYP2C9PPARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 FFAR4 1715/4885THRB 4323/4885S1PR1 98/4885

“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.