SCHEMBL19804685

SCHEMBL19804685

C=C(C)C(=O)OCCOc1cc(-c2ccccc2)cc(COC(=O)C(=C)C)c1-c1ccc(CCCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP12 P39900 1/20 0.33
SLC6A9 P48067 1/20 0.33
ADRB3 P13945 2/20 0.33
ADRB1 P08588 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
SCHEMBL19796932 0.92 THRA (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL19804233 0.88 CA1 (0.35) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL19796478 0.86 TSHR (0.33) CA1CA2POLBAPEX1HTT
SCHEMBL19804627 0.84 EGFR (0.45) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL19804610 0.82 FFAR4 (0.40) LTA4HEPHX2MGLLFAAHFFAR1
SCHEMBL19804683 0.82 FFAR4 (0.40) LTA4HEPHX2MGLLFAAHFFAR1
SCHEMBL19804243 0.82 POLB (0.38) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL19804442 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL19804473 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL19804260 0.81 CA1 (0.41) PDE4APDE4BPDE4CPDE4DCA1

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 PDE4A 2412/4885PDE4B 2239/4885PDE4C 2053/4885

“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.