SCHEMBL19804644

SCHEMBL19804644

C=C(C)C(=O)OCCCCOc1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.43
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 4/20 0.38
S1PR3 Q99500 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
APP P05067 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC6A9 P48067 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
SCHEMBL19804809 0.97 FFAR4 (0.44) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804523 0.97 FFAR4 (0.44) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804632 0.92 FFAR4 (0.43) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804782 0.89 FFAR4 (0.40) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804781 0.89 FFAR4 (0.40) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804677 0.88 FFAR4 (0.46) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804673 0.88 FFAR4 (0.46) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804736 0.88 FFAR4 (0.42) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19797087 0.87 SPHK1 (0.37) FFAR4CYP2C9PDE4APDE4BPDE4C
SCHEMBL19801966 0.86 S1PR1 (0.37) FFAR4S1PR1S1PR5S1PR3CYP3A4

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 1715/4885S1PR1 98/4885S1PR5 131/4885

“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.