SCHEMBL2183376

SCHEMBL2183376

Oc1ccc(C2=Cc3ccc(O)cc3OC2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.44
ESR1 P03372 11/20 0.44
APP P05067 1/20 0.39
PTGS1 P23219 1/20 0.35
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL13970430 0.82 ESR2 (0.46) ESR2ESR1APPPTGS1CA2
SCHEMBL2179974 0.82 ESR1 (0.51) ESR2ESR1APPPTGS1
SCHEMBL18535608 0.82 ESR1 (0.52) ESR2ESR1
SCHEMBL2179318 0.81 ESR1 (0.61) ESR2ESR1APPPTGS1
SCHEMBL2180274 0.80 ESR1 (0.42) ESR2ESR1APPPTGS1CA2
SCHEMBL2182963 0.80 ESR1 (0.42) ESR2ESR1APPPTGS1
SCHEMBL2182606 0.78 ESR2 (0.43) ESR2ESR1APPPTGS1
SCHEMBL12413190 0.78 ESR1 (0.41) ESR2ESR1APPPTGS1
SCHEMBL2180031 0.78 ESR2 (0.41) ESR2ESR1APPPTGS1
SCHEMBL2180705 0.78 ESR1 (0.41) ESR2ESR1APPPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
EP-2160385-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES Novogen Research Pty. Ltd. (AU) 2010-03-10 EP disclosed
WO-2009003229-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LTD (AU) 2009-01-08 WO disclosed
WO-2009003229-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LTD (AU) 2009-01-08 WO 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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 ESR2 8/4885ESR1 90/4885APP 2176/4885

“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.