SCHEMBL2069335

SCHEMBL2069335

CC(=O)Oc1ccc(C2COc3c(ccc(OC(C)=O)c3C)C2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ACHE P22303 1/20 0.34
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.32
CUL4A Q13619 1/20 0.32
NR3C1 P04150 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
PTPN1 P18031 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL2072017 1.00 LMNA (0.37) LMNAGBA1KDM4EACHECYP3A4
SCHEMBL2072015 1.00 LMNA (0.37) LMNAGBA1KDM4EACHECYP3A4
SCHEMBL2071317 1.00 LMNA (0.37) LMNAGBA1KDM4EACHECYP3A4
SCHEMBL2069182 0.93 CYP3A4 (0.38) LMNAKDM4ECYP3A4ALDH1A1KMT2A
SCHEMBL2069577 0.93 CYP3A4 (0.38) LMNAKDM4ECYP3A4ALDH1A1KMT2A
SCHEMBL4427157 0.89 ACHE (0.37) LMNAGBA1KDM4EACHECYP3A4
SCHEMBL4427159 0.89 ACHE (0.37) LMNAGBA1KDM4EACHECYP3A4
SCHEMBL2071213 0.88 MAPK1 (0.43) LMNAKDM4ECYP3A4ALDH1A1MAPK1
SCHEMBL2070071 0.88 MAPK1 (0.43) LMNAKDM4ECYP3A4ALDH1A1MAPK1
SCHEMBL2071215 0.88 MAPK1 (0.43) LMNAKDM4ECYP3A4ALDH1A1MAPK1

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-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-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 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
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 LMNA 2515/4885GBA1 3950/4885KDM4E 1806/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB LMNA 702/4885GBA1 1565/4885KDM4E 3617/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 LMNA 2515/4885GBA1 3950/4885KDM4E 1806/4885

“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.