SCHEMBL21721891

SCHEMBL21721891

COC(=O)c1cc(OC(C)=O)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ FUT7 Q11130 1/20 0.44

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
SCHEMBL18573170 0.93 POLB (0.53) POLBHSD17B10KDM4EALDH1A1CA1
SCHEMBL7954358 0.89 CA1 (0.52) POLBKDM4EALDH1A1CA1CA2
SCHEMBL1543332 0.89 HSD17B10 (0.57) HSD17B10KDM4EALDH1A1CA1CA2
SCHEMBL417129 0.85 HSD17B10 (0.57) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7234945 0.84 CA12 (0.60) POLBHSD17B10KDM4EALDH1A1CA1
SCHEMBL9121827 0.84 CA12 (0.60) POLBHSD17B10KDM4EALDH1A1CA1
SCHEMBL16533898 0.84 CA1 (0.50) POLBHSD17B10KDM4EALDH1A1CA1
SCHEMBL19335905 0.83 ELANE (0.45) POLBHSD17B10KDM4EALDH1A1CA1
SCHEMBL56890 0.83 KDM4E (0.55) POLBKDM4EALDH1A1CA1CA2
Methyl Alcohol SCHEMBL28269742 0.82 CA12 (0.58) POLBHSD17B10KDM4EALDH1A1CA1

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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 — — 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT POLB 1117/4885HSD17B10 2746/4885KDM4E 3160/4885

“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.

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