SCHEMBL614571

SCHEMBL614571

COc1cccc(C2=Cc3ccc(O)cc3OC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.51
ESRRB O95718 1/20 0.49
ESRRA P11474 1/20 0.49
ALOX5 P09917 1/20 0.43
MAPT P10636 2/20 0.43
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ABL1 P00519 1/20 0.41
ABCB1 P08183 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
SCHEMBL952469 0.85 NR1H4 (0.54) NR1H4ESRRBESRRAALOX5MAPT
SCHEMBL237510 0.84 TYR (0.43) NR1H4CYP3A4CYP2C9CYP2C19TYR
SCHEMBL2069601 0.82 ALOX5 (0.50) NR1H4ALOX5MAPTMEN1TP53
SCHEMBL616710 0.80 RARA (0.49) NR1H4MAPTMIFKDM4ETP53
SCHEMBL616344 0.80 RARA (0.46) NR1H4ALOX5MAPTMIFCYP3A4
SCHEMBL612956 0.79 MAOB (0.49) NR1H4ALOX5MAPTKDM4EMEN1
Idronoxil SCHEMBL149612 0.77 ESR2 (0.49) NR1H4MIFCYP3A4TYRRARA
Idronoxil SCHEMBL29353213 0.77 ESR2 (0.49) NR1H4MIFCYP3A4TYRRARA
SCHEMBL2070579 0.75 MAPT (0.46) NR1H4ALOX5MAPTMEN1CYP3A4
SCHEMBL676933 0.75 TYR (0.45) NR1H4MAPTMIFMEN1CYP3A4

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 12 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-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-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
WO-2010022467-A1 IMMUNOMODULATING ACTIVITIES NOVOGEN RESEARCH PTY LTD (AU) 2010-03-04 WO 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
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 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 (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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 NR1H4 1999/4885ESRRB 709/4885ESRRA 592/4885
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 NR1H4 59/4885ESRRB 112/4885ESRRA 84/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB NR1H4 576/4885ESRRB 112/4885ESRRA 184/4885

“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.