SCHEMBL12023218

SCHEMBL12023218

NC1=C(c2ccc(O)cc2)COc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.45
ESR1 P03372 9/20 0.45
MIF P14174 2/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ESRRB O95718 4/20 0.39
ESRRA P11474 4/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL12254998 0.83 ESR2 (0.47) ESR2ESR1MIFMAOAMAOB
SCHEMBL6208215 0.79 ESR2 (0.58) ESR2ESR1MIFMAOAMAOB
SCHEMBL2566862 0.78 ESR2 (0.45) ESR2ESR1MIF
SCHEMBL8934596 0.77 ESR1 (0.58) ESR2ESR1MIF
SCHEMBL2564011 0.77 ESR1 (0.58) ESR2ESR1MIF
SCHEMBL2567309 0.76 ESR1 (0.59) ESR2ESR1
SCHEMBL17861951 0.73 ESRRB (0.49) ESR2ESR1MIFMAOAMAOB
SCHEMBL243923 0.73 ESR1 (0.54) ESR2ESR1MAOBESRRBESRRA
SCHEMBL2180565 0.73 ESR2 (0.47) ESR2ESR1MIF
SCHEMBL13090322 0.72 ALOX12 (0.44) ESR2ESR1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367659-B2 Oxazinyl isoflavonoid compounds, medicaments and use MARSHALL EDWARDS, INC. (US) 2013-02-05 US disclosed
EP-2125831-B1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RES PTY LTD (AU) 2011-12-28 EP disclosed
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RESEARCH PTY LTD (AU) 2011-02-24 US disclosed
WO-2008106715-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RESEARCH PTY LTD (AU) 2008-09-12 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-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE TNNI3, NFE2L2, OAT ESR2 85/4885ESR1 138/4885MIF 79/4885

“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.