SCHEMBL616346

SCHEMBL616346

Oc1ccc(C2=Cc3ccc(O)c(O)c3OC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
PSMB5 P28074 1/20 0.41
TYR P14679 1/20 0.36
GYS1 P13807 1/20 0.36
RARA P10276 2/20 0.35
RARG P13631 2/20 0.35
ALOX5 P09917 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
TERT O14746 1/20 0.32
XDH P47989 1/20 0.32
PFKFB3 Q16875 1/20 0.32

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
SCHEMBL14374109 0.86 ESR1 (0.36) METKITFGFR1SRCKDR
SCHEMBL616139 0.86 ESR1 (0.36) METKITFGFR1SRCKDR
SCHEMBL616469 0.86 ESR1 (0.43) METKITFGFR1SRCKDR
SCHEMBL616913 0.85 ALOX15 (0.46) METKITFGFR1SRCKDR
Idronoxil SCHEMBL149612 0.76 ESR2 (0.49) TYRRARARARGESR1ESR2
Idronoxil SCHEMBL29353213 0.76 ESR2 (0.49) TYRRARARARGESR1ESR2
SCHEMBL677785 0.75 ESR2 (0.42) TYRRARARARGALOX5ESR1
SCHEMBL616661 0.73 ESR1 (0.43) METKITFGFR1SRCKDR
SCHEMBL21208399 0.72 MET (0.41) METKITFGFR1SRCKDR
SCHEMBL26549421 0.71 NISCH (0.48) RARARARGALOX5ESR1ESR2

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 19 patents. 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
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 MET 3832/4885KIT 2867/4885FGFR1 3862/4885
US-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MET 1698/4885KIT 2956/4885FGFR1 1092/4885
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 MET 1596/4885KIT 651/4885FGFR1 2000/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MET 1698/4885KIT 2956/4885FGFR1 1092/4885
US-20080069900-A1 Combination chemotherapy compositions and methods TOP2A, IDH2, DHFR MET 1348/4885KIT 1288/4885FGFR1 945/4885

“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.