SCHEMBL19804741

SCHEMBL19804741

C=C(C)C(=O)OCCc1cc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc(CCOC(=O)C(=C)C)c1OCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
PTGER4 P35408 1/20 0.37
TARBP2 Q15633 1/20 0.35
BACE1 P56817 2/20 0.34
EGFR P00533 1/20 0.34
GSTP1 P09211 2/20 0.34
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC6A9 P48067 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL19804077 0.89 SLC6A9 (0.41) MTNR1AMTNR1BTDP1POLBAPEX1
SCHEMBL19804831 0.86 TDP1 (0.40) MTNR1AMTNR1BTDP1POLBAPEX1
SCHEMBL19797149 0.86 THRB (0.41) TDP1POLBAPEX1HTTMAPT
SCHEMBL19804166 0.86 POLB (0.36) TDP1POLBAPEX1HTTPTGER4
SCHEMBL19804829 0.85 ESR1 (0.40) MTNR1AMTNR1BTDP1POLBAPEX1
SCHEMBL21098268 0.84 POLB (0.42) TDP1POLBAPEX1HTTPTGER4
SCHEMBL19804369 0.84 SLC6A9 (0.44) TDP1POLBAPEX1HTTPTGER4
SCHEMBL19804140 0.84 SLC6A9 (0.44) TDP1POLBAPEX1HTTPTGER4
SCHEMBL19804819 0.83 ESR1 (0.39) MTNR1AMTNR1BTDP1POLBAPEX1
SCHEMBL19804779 0.83 SLC6A9 (0.38) MTNR1AMTNR1BTDP1POLBAPEX1

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 MTNR1A 4362/4885MTNR1B 4638/4885TDP1 1951/4885

“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.