SCHEMBL19804172

SCHEMBL19804172

C=C(C)C(=O)OCCOc1cc(C)ccc1-c1ccc(CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.43
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PPARG P37231 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
TSHR P16473 1/20 0.36
FFAR1 O14842 4/20 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
ADORA3 P0DMS8 1/20 0.35
THRB P10828 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL19804273 0.93 FFAR4 (0.42) FFAR4CA1CA2PPARGCYP11B1
SCHEMBL19803987 0.93 FFAR4 (0.43) FFAR4CA1CA2CYP11B1CYP11B2
SCHEMBL19804171 0.92 FFAR4 (0.42) FFAR4CA1CA2PPARGCYP11B1
SCHEMBL19804185 0.88 FFAR4 (0.40) FFAR4CA1CA2PPARGCYP11B1
SCHEMBL19796422 0.87 CYP11B1 (0.37) FFAR4CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL19796341 0.87 CYP11B1 (0.37) FFAR4CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL19803992 0.87 FFAR4 (0.44) FFAR4CA1CA2CYP11B1CYP11B2
SCHEMBL19804215 0.86 CA1 (0.35) FFAR4CA1CA2PPARGCYP4F2
SCHEMBL19804250 0.85 FFAR4 (0.38) FFAR4CA1CA2CYP4F2CYP4A11
SCHEMBL19804608 0.84 CYP11B1 (0.37) FFAR4CA1CA2PPARGCYP11B1

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 1715/4885CA1 489/4885CA2 2120/4885

“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.