SCHEMBL19804579

SCHEMBL19804579

C=CC(=O)OCCc1cc(CCCO)ccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
S1PR1 P21453 4/20 0.39
S1PR5 Q9H228 4/20 0.39
S1PR3 Q99500 3/20 0.39
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 1/20 0.35
CHRM3 P20309 1/20 0.33
AGTR2 P50052 2/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.32
THRB P10828 1/20 0.32
AGTR1 P30556 1/20 0.32
NAAA Q02083 1/20 0.31
ASAH1 Q13510 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL19804789 0.91 FFAR4 (0.47) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19797067 0.88 FFAR4 (0.36) FFAR4S1PR1S1PR5S1PR3CYP2C9
SCHEMBL19804758 0.86 FFAR4 (0.47) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804804 0.85 FFAR4 (0.42) FFAR4CYP3A4CYP2C9APPPPARG
SCHEMBL19804530 0.85 FFAR4 (0.35) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19824574 0.84 FFAR4 (0.49) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804405 0.83 FFAR4 (0.40) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804468 0.83 FFAR4 (0.45) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804726 0.83 FFAR4 (0.41) FFAR4S1PR1S1PR5S1PR3CYP3A4
SCHEMBL19804486 0.83 FFAR4 (0.44) 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.