SCHEMBL616469

SCHEMBL616469

Cc1c(O)ccc2c1OCC(c1ccc(O)cc1)=C2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
TYR P14679 2/20 0.37
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
RARA P10276 3/20 0.33
RARG P13631 3/20 0.33
SENP1 Q9P0U3 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
RARB P10826 1/20 0.32
QDPR P09417 1/20 0.31
CNR2 P34972 1/20 0.31
ALOX5 P09917 1/20 0.31
NR1I2 O75469 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
SCHEMBL616661 0.88 ESR1 (0.43) ESR1ESR2TYRMETKIT
SCHEMBL2070644 0.86 ESR2 (0.39) ESR1ESR2NR1H4ALOX5
SCHEMBL616346 0.86 MET (0.48) ESR1ESR2TYRMETKIT
SCHEMBL615914 0.83 HSD17B1 (0.41) ESR1ESR2TYRMETKIT
SCHEMBL616139 0.82 ESR1 (0.36) ESR1ESR2TYRMETKIT
SCHEMBL14374109 0.82 ESR1 (0.36) ESR1ESR2TYRMETKIT
SCHEMBL615933 0.81 QDPR (0.43) ESR1ESR2RARARARGNR1H4
SCHEMBL614015 0.80 PTGS2 (0.44) ESR1ESR2RARARARGNR1H4
Idronoxil SCHEMBL149612 0.72 ESR2 (0.49) ESR1ESR2TYRRARARARG
Idronoxil SCHEMBL29353213 0.72 ESR2 (0.49) ESR1ESR2TYRRARARARG

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-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US claimed
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
EP-2334296-A1 IMMUNOMODULATING ACTIVITIES Novogen Research Pty. Ltd. (AU) 2011-06-22 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-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 ESR1 3617/4885ESR2 1769/4885TYR 3022/4885
US-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR1 232/4885ESR2 156/4885TYR 2129/4885
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 ESR1 138/4885ESR2 43/4885TYR 699/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR1 232/4885ESR2 156/4885TYR 2129/4885
US-20080069900-A1 Combination chemotherapy compositions and methods TOP2A, IDH2, DHFR ESR1 447/4885ESR2 631/4885TYR 4744/4885

“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.