SCHEMBL19804190

SCHEMBL19804190

C=C(C)C(=O)OCCc1cc(OCCO)ccc1C1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ABL1 P00519 1/20 0.33
HRH3 Q9Y5N1 5/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 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
SCHEMBL19804291 0.94 POLB (0.42) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804641 0.89 POLB (0.37) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19796355 0.88 POLB (0.36) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804296 0.88 POLB (0.39) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804269 0.85 CA1 (0.34) POLBAPEX1HTTTDP1CA1
SCHEMBL19804103 0.84 CA1 (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL19796814 0.83 CNR2 (0.35) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19624417 0.83 POLB (0.39) POLBAPEX1HTTTDP1HRH3
SCHEMBL19796358 0.82 POLB (0.40) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19624604 0.82 FFAR4 (0.35) POLBAPEX1HTTTDP1CA1

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.