SCHEMBL19801964

SCHEMBL19801964

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCCCC3)cc2)c(CCOC(=O)C(=C)C)c(OCCOC(=O)C(=C)C)c1CCCO

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
APP P05067 1/20 0.32
S1PR1 P21453 5/20 0.32
S1PR5 Q9H228 4/20 0.32
S1PR3 Q99500 3/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 2/20 0.32
MCHR1 Q99705 2/20 0.31
FASN P49327 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19796861 0.88 CA1 (0.33) CA1CA2CYP2C9
SCHEMBL19804514 0.87 CA1 (0.38) CA1CA2FFAR4CYP3A4CYP2C9
SCHEMBL19804163 0.84 CA1 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19804263 0.83 CA1 (0.38) CA1CA2PPARGPPARAPOLB
SCHEMBL19804632 0.83 FFAR4 (0.43) CA1CA2FFAR4CYP3A4CYP2C9
SCHEMBL19804671 0.82 FFAR4 (0.37) CA1CA2FFAR4CYP3A4CYP2C9
SCHEMBL19804520 0.82 CA1 (0.34) CA1CA2FFAR4
SCHEMBL19804809 0.81 FFAR4 (0.44) CA1CA2FFAR4CYP3A4CYP2C9
SCHEMBL19804523 0.81 FFAR4 (0.44) CA1CA2FFAR4CYP3A4CYP2C9
SCHEMBL19796404 0.81 THRB (0.40) CYP3A4

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 CA1 489/4885CA2 2120/4885FFAR4 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.