SCHEMBL19804646

SCHEMBL19804646

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCCCC3)cc2)cc(CCOC(=O)C(=C)C)c1OCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A9 P48067 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
APP P05067 1/20 0.32
MCHR1 Q99705 3/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CSF1R P07333 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 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
SCHEMBL19804069 0.89 SLC6A9 (0.39) FFAR4CYP3A4CYP2C9SLC6A9CA1
SCHEMBL19804498 0.86 SLC6A9 (0.40) CYP3A4CYP2C9SLC6A9CA1CA2
SCHEMBL19796852 0.86 DGAT1 (0.33) CYP2C9CA1CA2CNR1CNR2
SCHEMBL19804343 0.85 FFAR4 (0.37) FFAR4CYP3A4CYP2C9SLC6A9CA1
SCHEMBL19804514 0.84 CA1 (0.38) FFAR4CYP3A4CYP2C9SLC6A9CA1
SCHEMBL19804235 0.84 FFAR4 (0.37) FFAR4CYP3A4CYP2C9SLC6A9CA1
SCHEMBL19804166 0.83 POLB (0.36) SLC6A9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL19804791 0.83 FFAR4 (0.41) FFAR4CYP3A4CYP2C9SLC6A9APP
SCHEMBL19804355 0.83 FFAR4 (0.38) FFAR4CYP3A4CYP2C9SLC6A9CA1
SCHEMBL19804495 0.83 SLC6A9 (0.38) FFAR4SLC6A9CA1CA2MCHR1

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 1715/4885CYP3A4 2192/4885CYP2C9 4202/4885

“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.