SCHEMBL2069332

SCHEMBL2069332

COc1cc([C@@H]2COc3c(ccc(OC(C)=O)c3C)[C@H]2O)ccc1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.48
CYP3A4 P08684 2/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.39
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL2069096 1.00 NR3C1 (0.48) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL1037733 0.98 CYP3A4 (0.46) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL12957537 0.98 CYP3A4 (0.46) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL4438143 0.98 CYP3A4 (0.46) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL2069577 0.88 CYP3A4 (0.38) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL2069182 0.88 CYP3A4 (0.38) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL7499651 0.88 CYP3A4 (0.41) NR3C1CYP3A4TSHRALDH1A1MEN1
SCHEMBL2072017 0.85 LMNA (0.37) NR3C1CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL2071317 0.85 LMNA (0.37) NR3C1CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL2069335 0.85 LMNA (0.37) NR3C1CYP3A4ALDH1A1MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR3C1 4044/4885CYP3A4 14/4885TSHR 4437/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB NR3C1 1431/4885CYP3A4 2407/4885TSHR 4750/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 NR3C1 4044/4885CYP3A4 14/4885TSHR 4437/4885

“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.