SCHEMBL6092940

SCHEMBL6092940

CC(=O)Oc1ccc(C2COc3cc(OC(C)=O)ccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
TTR P02766 1/20 0.55
ALOX15 P16050 6/20 0.54
ALOX12 P18054 6/20 0.54
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
ALOX15B O15296 3/20 0.47
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL10563358 0.87 ALOX15 (0.55) ESR1ESR2TTRALOX15ALOX12
SCHEMBL3960481 0.82 CYP3A4 (0.54) ESR1ESR2TTRALOX15ALOX12
SCHEMBL14338684 0.82 ALOX15 (0.41) ESR1ESR2TTRALOX15ALOX12
SCHEMBL14338687 0.80 ALOX15 (0.46) ESR1ESR2TTRALOX15ALOX12
SCHEMBL10561540 0.80 ALOX15 (0.66) ESR1ESR2TTRALOX15ALOX12
SCHEMBL19418881 0.79 ALOX15 (0.72) ESR1ESR2TTRALOX15ALOX12
SCHEMBL31545514 0.77 ESR1 (0.72) ESR1ESR2TTRALOX15ALOX12
SCHEMBL8983930 0.76 ALOX15 (0.48) ESR1ESR2TTRALOX15ALOX12
SCHEMBL14374110 0.76 ESR1 (0.55) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL17591903 0.76 ESR2 (0.83) ESR1ESR2TTRALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3191464-B1 SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF SYSTEM BIOLOGIE AG (CH) 2019-11-06 EP disclosed
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 US disclosed
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 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 (4 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 ESR1 232/4885ESR2 156/4885TTR 3514/4885
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof CYP4B1, CYP51A1, CYP4A11 ESR1 186/4885ESR2 311/4885TTR 4347/4885
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof CYP4B1, CYP51A1, CYP4A11 ESR1 186/4885ESR2 311/4885TTR 4347/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR1 232/4885ESR2 156/4885TTR 3514/4885

“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.