SCHEMBL616710

SCHEMBL616710

COc1ccc(C2=Cc3ccc(O)cc3OC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.49
RARG P13631 3/20 0.49
RARB P10826 2/20 0.49
PTGS2 P35354 1/20 0.47
NR1H4 Q96RI1 1/20 0.44
CYP19A1 P11511 1/20 0.42
NPC1 O15118 2/20 0.41
FYN P06241 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TYR P14679 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL612956 0.91 MAOB (0.49) RARARARGRARBPTGS2NR1H4
SCHEMBL952469 0.83 NR1H4 (0.54) RARARARGRARBPTGS2NR1H4
Idronoxil SCHEMBL149612 0.81 ESR2 (0.49) RARARARGRARBNR1H4TYR
Idronoxil SCHEMBL29353213 0.81 ESR2 (0.49) RARARARGRARBNR1H4TYR
SCHEMBL4291569 0.80 KMT2A (0.53) RARARARGRARBPTGS2NR1H4
SCHEMBL614571 0.80 NR1H4 (0.51) RARARARGRARBNR1H4TYR
SCHEMBL676933 0.79 TYR (0.45) RARARARGRARBNR1H4TYR
SCHEMBL614015 0.78 PTGS2 (0.44) RARARARGRARBPTGS2NR1H4
SCHEMBL30628176 0.78 TYR (0.47) RARARARGRARBPTGS2NR1H4
SCHEMBL2072026 0.77 KMT2A (0.49) RARARARGRARBPTGS2NR1H4

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 RARA 743/4885RARG 312/4885RARB 818/4885
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE TNNI3, NFE2L2, OAT RARA 4617/4885RARG 4274/4885RARB 4581/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB RARA 2668/4885RARG 1604/4885RARB 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.