SCHEMBL19796733

SCHEMBL19796733

C=CC(=O)OCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)ccc1CCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 3/20 0.33
FASN P49327 1/20 0.33
RARB P10826 1/20 0.33
APP P05067 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL19796725 0.96 FFAR4 (0.34) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19797040 0.93 CYP3A4 (0.33) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19796729 0.91 CYP2C9 (0.33) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19797098 0.90 FFAR4 (0.40) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19796576 0.89 FFAR4 (0.36) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19797069 0.89 THRA (0.32) CYP2C9THRATHRBCNR2
SCHEMBL19797039 0.88 FFAR4 (0.32) FFAR4CYP2C9RARBTHRATHRB
SCHEMBL19797035 0.88 CYP2C9 (0.35) FFAR4CYP2C9CYP3A4FASNRARB
SCHEMBL19796735 0.87 THRB (0.34) CYP2C9CYP3A4THRATHRBCNR2
SCHEMBL19803222 0.87 FFAR4 (0.42) FFAR4CYP2C9CYP3A4FASNAPP

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 1715/4885CYP2C9 4202/4885CYP3A4 2192/4885

“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.