SCHEMBL237510

SCHEMBL237510

Oc1cccc(C2=Cc3ccc(O)cc3OC2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
HSD17B1 P14061 6/20 0.43
HSD17B2 P37059 6/20 0.43
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
RARA P10276 3/20 0.42
RARG P13631 3/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
RARB P10826 1/20 0.41
APP P05067 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL616344 0.89 RARA (0.46) TYRESR1ESR2RARARARG
Idronoxil SCHEMBL29353213 0.85 ESR2 (0.49) TYRESR1ESR2RARARARG
Idronoxil SCHEMBL149612 0.85 ESR2 (0.49) TYRESR1ESR2RARARARG
SCHEMBL614571 0.84 NR1H4 (0.51) TYRRARARARGCYP3A4CYP2C9
SCHEMBL4183249 0.80 HSD17B1 (0.38) TYRHSD17B1HSD17B2ESR1ESR2
SCHEMBL615450 0.79 TYR (0.43) TYRESR1ESR2RARARARG
SCHEMBL676933 0.79 TYR (0.45) TYRESR1ESR2RARARARG
SCHEMBL615914 0.77 HSD17B1 (0.41) TYRHSD17B1HSD17B2ESR1ESR2
SCHEMBL616710 0.77 RARA (0.49) TYRRARARARGRARBNR1H4
SCHEMBL4320833 0.77 TYR (0.57) TYRESR1ESR2RARARARG

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US claimed
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US claimed
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
US-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF MARSHALL EDWARDS, INC. 2012-01-05 US disclosed
EP-2125831-B1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE NOVOGEN RES PTY LTD (AU) 2011-12-28 EP disclosed
EP-2324003-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF Novogen Research Pty Ltd (AU) 2011-05-25 EP disclosed
US-7906554-B2 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-7906554-B2 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US 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
WO-2008052256-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY NOVOGEN RESEARCH PTY LTD (AU) 2008-05-08 WO disclosed
US-20080069900-A1 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD 2008-03-20 US disclosed
US-20080069900-A1 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD 2008-03-20 US disclosed
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US disclosed
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US disclosed
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 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 (6 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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 TYR 2129/4885HSD17B1 77/4885HSD17B2 68/4885
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 TYR 699/4885HSD17B1 45/4885HSD17B2 69/4885
US-20110046722-A1 OXAZINYL ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USE TNNI3, NFE2L2, OAT TYR 2848/4885HSD17B1 192/4885HSD17B2 142/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 TYR 2129/4885HSD17B1 77/4885HSD17B2 68/4885
US-20080069900-A1 Combination chemotherapy compositions and methods TOP2A, IDH2, DHFR TYR 4744/4885HSD17B1 1566/4885HSD17B2 1076/4885
US-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF UGT1A6, CYP19A1, HSD17B11 TYR 179/4885HSD17B1 92/4885HSD17B2 64/4885

“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.