SCHEMBL614132

SCHEMBL614132

Oc1ccc(C2=Cc3c(O)cc(O)cc3OC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.50
ESR1 P03372 6/20 0.50
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
TYR P14679 1/20 0.36
ABL1 P00519 2/20 0.34
ABCB1 P08183 2/20 0.34
BCR P11274 1/20 0.34
CYP3A4 P08684 5/20 0.34
GLO1 Q04760 3/20 0.34
OR51E2 Q9H255 2/20 0.34
CD38 P28907 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP19A1 P11511 3/20 0.34
PTGS1 P23219 2/20 0.34
SLCO2B1 O94956 2/20 0.34
TTR P02766 2/20 0.34
SHBG P04278 2/20 0.34

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
SCHEMBL31270617 1.00 ESR2 (0.50) ESR2ESR1MAOAMAOBTYR
SCHEMBL5624423 0.84 ESR2 (0.41) ESR2ESR1MAOAMAOBTYR
SCHEMBL677757 0.84 ESR2 (0.41) ESR2ESR1MAOAMAOBTYR
SCHEMBL4183249 0.83 HSD17B1 (0.38) ESR2ESR1TYRCYP3A4CYP2C9
SCHEMBL13704314 0.81 QDPR (0.43) MAOBCD38MEN1KMT2APTGS1
SCHEMBL13704163 0.80 QPCT (0.40) ESR2ESR1TYRABCB1ALOX15
Idronoxil SCHEMBL149612 0.78 ESR2 (0.49) ESR2ESR1MAOAMAOBTYR
Idronoxil SCHEMBL29353213 0.78 ESR2 (0.49) ESR2ESR1MAOAMAOBTYR
SCHEMBL677785 0.77 ESR2 (0.42) ESR2ESR1MAOAMAOBTYR
SCHEMBL15271030 0.75 ESR1 (0.42) ESR2ESR1MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US claimed
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP claimed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP claimed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO claimed
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES MARSHALL EDWARDS, INC. 2012-02-16 US 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-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY NOVOGEN RESEARCH PTY LTD (AU) 2010-06-17 US disclosed
US-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY NOVOGEN RESEARCH PTY LTD (AU) 2010-06-17 US 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 (5 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-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY PMP22, NGF, GAP43 ESR2 1769/4885ESR1 3617/4885MAOA 2076/4885
US-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR2 156/4885ESR1 232/4885MAOA 1190/4885
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 ESR2 43/4885ESR1 138/4885MAOA 2662/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR2 156/4885ESR1 232/4885MAOA 1190/4885
US-20080069900-A1 Combination chemotherapy compositions and methods TOP2A, IDH2, DHFR ESR2 631/4885ESR1 447/4885MAOA 3106/4885

“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.