SCHEMBL616139

SCHEMBL616139

Oc1ccc(C2=Cc3ccc(O)c(Br)c3OC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
MET P08581 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
TYR P14679 1/20 0.34
RARA P10276 2/20 0.33
RARG P13631 2/20 0.33
ALOX5 P09917 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL616346 0.86 MET (0.48) ESR1ESR2METKITFGFR1
SCHEMBL616469 0.82 ESR1 (0.43) ESR1ESR2METKITFGFR1
SCHEMBL14374109 0.82 ESR1 (0.36) ESR1ESR2METKITFGFR1
Idronoxil SCHEMBL149612 0.72 ESR2 (0.49) ESR1ESR2TYRRARARARG
Idronoxil SCHEMBL29353213 0.72 ESR2 (0.49) ESR1ESR2TYRRARARARG
SCHEMBL677785 0.71 ESR2 (0.42) ESR1ESR2TYRRARARARG
SCHEMBL615450 0.71 TYR (0.43) ESR1ESR2TYRRARARARG
SCHEMBL616661 0.70 ESR1 (0.43) ESR1ESR2METKITFGFR1
SCHEMBL26549421 0.68 NISCH (0.48) ESR1ESR2RARARARGALOX5
SCHEMBL31069510 0.66 GSK3B (0.40) ESR1ESR2

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 11 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
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES MARSHALL EDWARDS, INC. 2012-02-16 US disclosed
EP-2125831-B1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RES PTY LTD (AU) 2011-12-28 EP disclosed
EP-2334296-A1 IMMUNOMODULATING ACTIVITIES Novogen Research Pty. Ltd. (AU) 2011-06-22 EP disclosed
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RESEARCH PTY LTD (AU) 2011-02-24 US disclosed
WO-2010022467-A1 IMMUNOMODULATING ACTIVITIES NOVOGEN RESEARCH PTY LTD (AU) 2010-03-04 WO disclosed
EP-2125831-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE Novogen Research Pty. Ltd. (AU) 2009-12-02 EP disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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 (3 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-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 ESR1 138/4885ESR2 43/4885MET 1596/4885
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE TNNI3, NFE2L2, OAT ESR1 138/4885ESR2 85/4885MET 3794/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ESR1 291/4885ESR2 57/4885MET 3443/4885

“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.