SCHEMBL2069685

SCHEMBL2069685

COc1cc(C2=Cc3ccc(OC(C)=O)c(C)c3OC2)ccc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
TSHR P16473 1/20 0.41
NR3C1 P04150 1/20 0.39
PTGS2 P35354 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
AMY1A P0DUB6 2/20 0.38
PTGS1 P23219 1/20 0.38
GRK6 P43250 1/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAPDH P04406 1/20 0.36
GAK O14976 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNFSF11 O14788 1/20 0.36

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
SCHEMBL4295886 0.98 RARA (0.42) RARARARBRARGTSHRNR3C1
SCHEMBL2069120 0.87 BACE1 (0.45) RARARARBRARGPTGS2CYP19A1
SCHEMBL2069364 0.85 GBA1 (0.39) RARARARBRARGTSHRPTGS2
SCHEMBL4287462 0.83 GBA1 (0.38) RARARARBRARGTSHRPTGS2
SCHEMBL2071503 0.83 PTGS2 (0.41) PTGS2MEN1KMT2AGAPDHALDH1A1
SCHEMBL2072026 0.82 KMT2A (0.49) RARARARBRARGTSHRNR3C1
SCHEMBL614015 0.81 PTGS2 (0.44) RARARARBRARGPTGS2CYP19A1
SCHEMBL4291569 0.78 KMT2A (0.53) RARARARBRARGTSHRPTGS2
SCHEMBL6093329 0.76 BACE1 (0.45) RARARARBRARGPTGS2MEN1
SCHEMBL2069109 0.73 ADORA3 (0.45) RARARARBRARGPTGS2GAPDH

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 RARA 4561/4885RARB 4615/4885RARG 4266/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB RARA 2668/4885RARB 2101/4885RARG 1604/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 RARA 4561/4885RARB 4615/4885RARG 4266/4885

“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.