SCHEMBL19804175

SCHEMBL19804175

C=C(C)C(=O)OCCCc1cc(CO)ccc1-c1ccc(-c2ccccc2)cc1CC

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
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.33
ESR1 P03372 1/20 0.33
PPARG P37231 1/20 0.33
HSD17B1 P14061 2/20 0.33
EGFR P00533 2/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
BCL2 P10415 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL19796786 0.90 TSHR (0.41) TSHRTHRB
SCHEMBL19804372 0.87 POLB (0.37) POLBAPEX1HTTTDP1TSHR
SCHEMBL19796409 0.86 TSHR (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL19804015 0.85 TSHR (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL19801688 0.85 EGFR (0.38) POLBAPEX1HTTTDP1EGFR
SCHEMBL19804617 0.85 EGFR (0.38) POLBAPEX1HTTTDP1EGFR
SCHEMBL19804445 0.84 POLB (0.35) POLBAPEX1HTTTDP1PPARG
SCHEMBL19796323 0.84 TSHR (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL17070449 0.84 TSHR (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL17070399 0.84 TSHR (0.35) POLBAPEX1HTTTDP1TSHR

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.