SCHEMBL19804356

SCHEMBL19804356

C=C(C)C(=O)OCCOc1cc(C2CCC(C3CCCCC3)CC2)ccc1CCCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
PPARG P37231 6/20 0.34
PPARA Q07869 3/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CSF1R P07333 1/20 0.32
CNR2 P34972 5/20 0.32
CNR1 P21554 3/20 0.32
PPARD Q03181 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL19804434 0.94 PDE4A (0.35) CA1CA2PPARGPPARAPDE4A
SCHEMBL19804245 0.91 HPGD (0.36) CA1CA2PPARGPPARAPDE4A
SCHEMBL19804705 0.89 CYP3A4 (0.39) CA1CA2PPARGPPARAFFAR4
SCHEMBL19804050 0.88 CA1 (0.37) CA1CA2PPARGPPARAPOLB
SCHEMBL19804459 0.88 CA1 (0.37) CA1CA2PPARGPPARAPOLB
SCHEMBL19796627 0.87 CNR2 (0.38) CA1CA2CNR2CNR1
SCHEMBL19801963 0.87 CA1 (0.35) CA1CA2PPARGPPARAPDE4A
SCHEMBL19804072 0.87 CSF1R (0.40) CA1CA2PPARGPPARAPDE4A
SCHEMBL19804674 0.87 FFAR4 (0.33) CA1CA2PPARGPPARACSF1R
SCHEMBL19804355 0.86 FFAR4 (0.38) CA1CA2PPARGPPARAPOLB

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 2120/4885PPARG 3314/4885

“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.