SCHEMBL19804166

SCHEMBL19804166

C=C(C)C(=O)OCCOc1cc(-c2ccccc2)cc(CCOC(=O)C(=C)C)c1OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PTPN1 P18031 2/20 0.34
EGFR P00533 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SLC6A9 P48067 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGS1 P23219 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PTGER4 P35408 1/20 0.33
THRB P10828 1/20 0.33
GSTP1 P09211 1/20 0.33
BACE1 P56817 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
SCHEMBL19804741 0.86 MTNR1A (0.39) POLBAPEX1HTTTDP1EGFR
SCHEMBL19796395 0.86 THRA (0.42) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL19804140 0.85 SLC6A9 (0.44) POLBAPEX1HTTTDP1PDE4A
SCHEMBL19804369 0.85 SLC6A9 (0.44) POLBAPEX1HTTTDP1PDE4A
SCHEMBL19804646 0.83 FFAR4 (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19804521 0.82 PDE4A (0.45) POLBAPEX1HTTTDP1PDE4A
SCHEMBL19804077 0.81 SLC6A9 (0.41) POLBAPEX1HTTTDP1PDE4A
SCHEMBL21098268 0.81 POLB (0.42) POLBAPEX1HTTTDP1PTGS1
SCHEMBL19804260 0.81 CA1 (0.41) POLBAPEX1HTTTDP1PDE4A
SCHEMBL19804285 0.81 SLC6A9 (0.40) POLBAPEX1HTTTDP1PDE4A

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 POLB 3105/4885APEX1 1385/4885HTT 4544/4885

“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.