SCHEMBL614015

SCHEMBL614015

COc1ccc(C2=Cc3ccc(O)c(C)c3OC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
CYP19A1 P11511 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
QDPR P09417 2/20 0.37
PDE4A P27815 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FPR2 P25090 1/20 0.37
TERT O14746 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 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
SCHEMBL615933 0.94 QDPR (0.43) PTGS2RARARARBRARGNR1H4
SCHEMBL4295886 0.83 RARA (0.42) PTGS2RARARARBRARGCYP19A1
SCHEMBL2070644 0.83 ESR2 (0.39) PTGS2NR1H4ESR1ESR2TP53
SCHEMBL2069685 0.81 RARA (0.42) PTGS2RARARARBRARGCYP19A1
SCHEMBL616469 0.80 ESR1 (0.43) RARARARBRARGNR1H4QDPR
SCHEMBL615914 0.78 HSD17B1 (0.41) PTGS2RARARARGNR1H4ESR1
SCHEMBL616710 0.78 RARA (0.49) PTGS2RARARARBRARGCYP19A1
SCHEMBL616661 0.77 ESR1 (0.43) RARARARBRARGNR1H4ESR1
SCHEMBL612956 0.74 MAOB (0.49) PTGS2RARARARBRARGNR1H4
SCHEMBL616913 0.71 ALOX15 (0.46) PTGS2NR1H4ESR2TP53MEN1

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 PTGS2 692/4885RARA 743/4885RARB 818/4885
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE TNNI3, NFE2L2, OAT PTGS2 25/4885RARA 4617/4885RARB 4581/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB PTGS2 440/4885RARA 2668/4885RARB 2101/4885

“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.