SCHEMBL19804197

SCHEMBL19804197

C=C(C)C(=O)OCCc1cc(OCCO)cc(CC)c1-c1ccc(C)cc1C

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
THRB P10828 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
FFAR1 O14842 1/20 0.32
PTGER1 P34995 2/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 2/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19796364 0.89 POLB (0.34) POLBAPEX1HTTTDP1THRB
SCHEMBL19804147 0.86 TDP1 (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL19796424 0.81 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL19804191 0.79 POLB (0.37) POLBAPEX1HTTTDP1THRB
SCHEMBL19804018 0.78 POLB (0.39) POLBAPEX1HTTTDP1CA1
SCHEMBL19803993 0.78 POLB (0.39) POLBAPEX1HTTTDP1CA1
SCHEMBL19796356 0.77 POLB (0.38) POLBAPEX1HTTTDP1THRB
SCHEMBL19624458 0.77 RARA (0.38) POLBAPEX1HTTTDP1THRB
SCHEMBL19804074 0.76 L3MBTL1 (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL19804186 0.76 TDP1 (0.40) 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.