SCHEMBL2069772

SCHEMBL2069772

COc1cc(-c2coc3c(C)c(O)ccc3c2=O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
PTPN1 P18031 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PPARG P37231 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALOX15 P16050 3/20 0.54
ALOX12 P18054 3/20 0.54
POLB P06746 2/20 0.54
HMGB1 P09429 1/20 0.54

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
SCHEMBL330358 0.94 MAPT (0.63) MAPTTP53PTPN1MEN1ALDH1A1
SCHEMBL2070701 0.85 ALDH1A1 (0.69) MAPTTP53MEN1ALDH1A1LMNA
SCHEMBL30130271 0.83 ALOX15 (0.58) MAPTPTPN1ALDH1A1LMNARAB9A
SCHEMBL28857737 0.83 ALOX15 (0.58) MAPTPTPN1ALDH1A1LMNARAB9A
SCHEMBL18235039 0.83 ALOX15 (0.58) MAPTPTPN1ALDH1A1LMNAKDM4E
SCHEMBL10563073 0.82 MAPT (0.66) MAPTTP53PTPN1MEN1ALDH1A1
SCHEMBL236627 0.82 ALDH1A1 (0.60) MAPTTP53MEN1ALDH1A1LMNA
SCHEMBL10562056 0.81 ALOX15 (0.79) MAPTTP53PTPN1MEN1ALDH1A1
SCHEMBL330038 0.81 XDH (0.74) MAPTTP53ALDH1A1LMNACYP3A4
SCHEMBL12055335 0.81 MAPT (0.60) MAPTTP53PTPN1MEN1ALDH1A1

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 MAPT 3761/4885TP53 2938/4885PTPN1 4603/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB MAPT 3422/4885TP53 794/4885PTPN1 2937/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 MAPT 3761/4885TP53 2938/4885PTPN1 4603/4885

“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.