SCHEMBL21261059

SCHEMBL21261059

O=C(O)c1coc(-c2ccc(-c3c(C(=O)c4ccc(O)cc4)sc4cc(O)ccc34)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.61
▸ PDE4B Q07343 2/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21260749 0.95 ESR1 (0.55) ESR1PDE4BPTPN1ESR2HSD17B1
SCHEMBL21260940 0.90 ESR1 (0.53) ESR1PDE4BPTPN1HSD17B1
SCHEMBL21260927 0.90 ESR1 (0.58) ESR1PDE4BPTPN1
SCHEMBL21260865 0.89 ESR1 (0.49) ESR1PDE4BHSD17B1
SCHEMBL21261061 0.89 ESR1 (0.65) ESR1ESR2
SCHEMBL21260915 0.87 ESR1 (0.47) ESR1PDE4BHSD17B1
SCHEMBL21260886 0.87 ESR1 (0.62) ESR1ESR2
SCHEMBL21260986 0.85 ESR1 (0.46) ESR1PDE4BHSD17B1
SCHEMBL21260770 0.85 ESR1 (0.45) ESR1PDE4BESR2HSD17B1
SCHEMBL21261000 0.84 ESR1 (0.57) ESR1PTPN1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 — — US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 — — 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 (2 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-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 ESR1 1/4885PDE4B 4190/4885PTPN1 985/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 ESR1 1/4885PDE4B 4190/4885PTPN1 985/4885

“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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