SCHEMBL2070571

SCHEMBL2070571

CC(=O)Oc1cccc(C2COc3cc(OC(C)=O)ccc3C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.61
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL242978 0.89 CYP19A1 (0.61) CYP19A1ALOX15ALOX12CYP3A4KCNH2
SCHEMBL5498695 0.85 CYP19A1 (0.83) CYP19A1ALOX15ALOX12CYP3A4KCNH2
SCHEMBL4432673 0.84 CYP19A1 (0.56) CYP19A1ALOX15ALOX12CYP3A4KCNH2
SCHEMBL2604717 0.81 CYP19A1 (0.64) CYP19A1ALOX15ALOX12CYP3A4KCNH2
SCHEMBL6142887 0.79 CYP19A1 (0.68) CYP19A1ALOX15ALOX12KCNH2TRPV1
SCHEMBL19410272 0.77 CYP19A1 (0.62) CYP19A1ALOX15ALOX12CYP3A4KCNH2
SCHEMBL13267887 0.76 CYP19A1 (1.00) CYP19A1ALOX15ALOX12
SCHEMBL2069802 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2069030 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL7503993 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1MAPTSMN1; SMN2

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 6 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-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 (2 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 CYP19A1 5/4885ALOX15 2360/4885ALOX12 2451/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP19A1 5/4885ALOX15 2360/4885ALOX12 2451/4885

“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.