SCHEMBL1724274

SCHEMBL1724274

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
ACHE P22303 2/20 0.41
USP2 O75604 1/20 0.40
CA2 P00918 3/20 0.40
CA5A P35218 2/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LTB4R Q15722 1/20 0.38

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
SCHEMBL1725625 1.00 CYP3A4 (0.44) CYP3A4ACHEUSP2CA2CA5A
SCHEMBL1724275 1.00 CYP3A4 (0.44) CYP3A4ACHEUSP2CA2CA5A
SCHEMBL2070082 1.00 CYP3A4 (0.44) CYP3A4ACHEUSP2CA2CA5A
SCHEMBL2070356 0.94 CYP3A4 (0.46) CYP3A4USP2MAPTTDP1MAPK1
SCHEMBL2070355 0.94 CYP3A4 (0.46) CYP3A4USP2MAPTTDP1MAPK1
SCHEMBL2070802 0.94 CYP3A4 (0.46) CYP3A4USP2MAPTTDP1MAPK1
SCHEMBL2070800 0.94 CYP3A4 (0.46) CYP3A4USP2MAPTTDP1MAPK1
SCHEMBL4427817 0.93 CYP3A4 (0.41) CYP3A4ACHEUSP2CA2CA5A
SCHEMBL2069980 0.93 CYP3A4 (0.45) CYP3A4ACHEMAPTTDP1MAPK1
SCHEMBL2069977 0.93 CYP3A4 (0.45) CYP3A4ACHEMAPTTDP1MAPK1

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 26 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-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
EP-2404995-B1 Enzyme associated with equol synthesis OTSUKA PHARMA CO LTD (JP) 2013-07-17 EP disclosed
EP-2404994-B1 Enzyme associated with equol synthesis OTSUKA PHARMA CO LTD (JP) 2013-07-03 EP disclosed
EP-2228441-B1 ENZYME INVOLVED IN SYNTHESIS OF EQUOL OTSUKA PHARMA CO LTD (JP) 2013-06-19 EP disclosed
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2010-12-30 US disclosed
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2010-12-30 US disclosed
EP-2228441-A1 ENZYME INVOLVED IN SYNTHESIS OF EQUOL Otsuka Pharmaceutical Co., Ltd. (JP) 2010-09-15 EP disclosed
WO-2009084603-A1 ENZYME INVOLVED IN SYNTHESIS OF EQUOL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-09 WO 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 (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 CYP3A4 14/4885ACHE 3802/4885USP2 2930/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885ACHE 3802/4885USP2 2930/4885
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS DHODH, DHPS, HPGD CYP3A4 171/4885ACHE 1607/4885USP2 1462/4885

“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.