SCHEMBL19804608

SCHEMBL19804608

C=C(C)C(=O)OCCOc1cc(CCO)ccc1-c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
FFAR4 Q5NUL3 3/20 0.36
PPARG P37231 2/20 0.36
FFAR1 O14842 2/20 0.36
SLC6A9 P48067 1/20 0.36
PPARA Q07869 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS2 P35354 1/20 0.34
SCN9A Q15858 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19803987 0.89 FFAR4 (0.43) CYP11B1CYP11B2FFAR4FFAR1ALDH1A1
SCHEMBL19796797 0.86 RARB (0.47) PPARGPPARAALDH1A1S1PR1
SCHEMBL19796422 0.86 CYP11B1 (0.37) CYP11B1CYP11B2FFAR4MCL1ALDH1A1
SCHEMBL19796341 0.86 CYP11B1 (0.37) CYP11B1CYP11B2FFAR4MCL1ALDH1A1
SCHEMBL19804172 0.84 FFAR4 (0.43) CYP11B1CYP11B2FFAR4PPARGFFAR1
SCHEMBL19804448 0.83 SLC6A9 (0.41) PPARGSLC6A9PPARAMCL1ALDH1A1
SCHEMBL19804215 0.83 CA1 (0.35) FFAR4PPARGFFAR1PPARAALDH1A1
SCHEMBL19804383 0.83 SLC6A9 (0.44) PPARGSLC6A9PPARAMCL1KDM4E
SCHEMBL19796342 0.82 THRB (0.35) FFAR4ALDH1A1S1PR1
SCHEMBL19804168 0.82 SLC6A9 (0.40) CYP11B1CYP11B2FFAR4SLC6A9ALDH1A1

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 CYP11B1 4354/4885CYP11B2 4666/4885FFAR4 1715/4885

“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.