SCHEMBL19804475

SCHEMBL19804475

C=CC(=O)OCc1cc(CCCO)ccc1CCc1ccc(C2CCC(C3CCCCC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.39
NAAA Q02083 2/20 0.32
ASAH1 Q13510 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL19804460 0.88 FFAR4 (0.33) FFAR4THRB
SCHEMBL19797068 0.87 SPHK1 (0.38) FFAR4SPHK1THRB
SCHEMBL19804765 0.84 FFAR4 (0.36) FFAR4NAAAASAH1MEN1ALDH1A1
SCHEMBL19804526 0.80 MEN1 (0.33) FFAR4NAAAASAH1MEN1ALDH1A1
SCHEMBL19804811 0.79 FFAR4 (0.38) FFAR4MEN1ALDH1A1MAPTKMT2A
SCHEMBL19804802 0.78 FFAR4 (0.40) FFAR4S1PR1S1PR3S1PR5THRB
SCHEMBL19804405 0.77 FFAR4 (0.40) FFAR4NAAAASAH1S1PR1S1PR3
SCHEMBL19804598 0.77 TSHR (0.31) THRB
SCHEMBL19804780 0.76 FFAR4 (0.35) FFAR4NAAA
SCHEMBL19804778 0.76 FFAR4 (0.34) FFAR4ALDH1A1THRB

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 1715/4885NAAA 4811/4885ASAH1 2761/4885

“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.