SCHEMBL19804724

SCHEMBL19804724

C=CC(=O)OCCOc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
APP P05067 3/20 0.44
FFAR4 Q5NUL3 3/20 0.42
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRB P10828 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
S1PR1 P21453 3/20 0.32
S1PR5 Q9H228 3/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.31
SLC6A9 P48067 1/20 0.31
GCGR P47871 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
SCHEMBL19804752 0.92 CYP3A4 (0.44) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804444 0.91 THRB (0.39) CYP3A4CYP2C9APPFFAR4THRB
SCHEMBL19804692 0.88 CYP3A4 (0.46) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19801711 0.87 CYP3A4 (0.47) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19797032 0.86 CYP2C9 (0.37) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804488 0.84 THRB (0.38) CYP3A4CYP2C9APPFFAR4THRB
SCHEMBL19804389 0.84 CYP3A4 (0.45) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804535 0.84 THRB (0.45) FFAR4THRBALOX5APFEN1SLC6A9
SCHEMBL19804740 0.83 CYP3A4 (0.41) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804499 0.83 FFAR4 (0.39) CYP3A4CYP2C9APPFFAR4THRB

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 CYP3A4 2192/4885CYP2C9 4202/4885APP 325/4885

“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.