SCHEMBL2182335

SCHEMBL2182335

CCCC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.56
ESR2 Q92731 10/20 0.56
APP P05067 1/20 0.34
BRD4 O60885 1/20 0.33
ALOX5 P09917 1/20 0.32
SHBG P04278 1/20 0.32
PTGS1 P23219 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
SCHEMBL2183316 0.92 ESR2 (0.48) ESR1ESR2APPBRD4PTGS1
SCHEMBL2180799 0.89 ESR1 (0.55) ESR1ESR2APPPTGS1
SCHEMBL13970355 0.86 ESR1 (0.44) ESR1ESR2ALOX5
SCHEMBL2182606 0.83 ESR2 (0.43) ESR1ESR2APPPTGS1
SCHEMBL2181735 0.83 ESR1 (0.41) ESR1ESR2
SCHEMBL2184216 0.80 ESR1 (0.41) ESR1ESR2APPPTGS1
SCHEMBL2179974 0.78 ESR1 (0.51) ESR1ESR2APPBRD4PTGS1
SCHEMBL2181270 0.77 ESR2 (0.43) ESR1ESR2APPPTGS1
SCHEMBL2183735 0.77 ESR2 (0.41) ESR1ESR2APPPTGS1
SCHEMBL2183376 0.76 ESR2 (0.44) ESR1ESR2APPPTGS1

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 ESR1 90/4885ESR2 8/4885APP 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.