SCHEMBL2070165

SCHEMBL2070165

Oc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ESR1 P03372 7/20 0.49
ESR2 Q92731 7/20 0.49
TTR P02766 1/20 0.49
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL12255070 1.00 CYP3A4 (0.49) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL149887 1.00 CYP3A4 (0.49) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL14076891 1.00 CYP3A4 (0.49) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL133493 1.00 CYP3A4 (0.49) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL14076892 0.91 MEN1 (0.48) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL12749671 0.91 MEN1 (0.48) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL2069633 0.91 CYP3A4 (0.50) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL2069344 0.91 CYP3A4 (0.50) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL14198745 0.91 CYP3A4 (0.50) CYP3A4MAOAMAOBESR1ESR2
SCHEMBL678187 0.91 CYP3A4 (0.50) CYP3A4MAOAMAOBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150240275-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
US-20150240275-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
US-8993296-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993296-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-20140315264-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140315264-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-8669088-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-8669088-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20130150568-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150568-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2010-12-30 US disclosed
WO-2009084603-A1 ENZYME INVOLVED IN SYNTHESIS OF EQUOL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-09 WO disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 US disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP3A4 14/4885MAOA 1190/4885MAOB 1006/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885MAOA 1190/4885MAOB 1006/4885
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, ESRRA, ESRRB CYP3A4 1461/4885MAOA 1619/4885MAOB 675/4885
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS DHODH, DHPS, HPGD CYP3A4 171/4885MAOA 326/4885MAOB 418/4885

“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.