SCHEMBL2072196

SCHEMBL2072196

CC(=O)Oc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.89
HSD17B10 Q99714 7/20 0.89
CYP3A4 P08684 7/20 0.89
SMN1; SMN2 Q16637 7/20 0.89
TP53 P04637 3/20 0.89
ALDH1A1 P00352 7/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 7/20 0.58
HPGD P15428 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RECQL P46063 2/20 0.56
ALOX15 P16050 1/20 0.56
APEX1 P27695 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
NFKB1 P19838 2/20 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
SCHEMBL29936595 0.94 KDM4E (1.00) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL26145311 0.94 KDM4E (1.00) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL7564891 0.90 SMN1; SMN2 (0.73) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL7571074 0.89 KDM4E (0.72) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL3957582 0.88 SMN1; SMN2 (0.69) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL31236167 0.87 SMN1; SMN2 (0.69) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL10001911 0.86 KDM4E (0.68) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL26145349 0.86 KDM4E (0.84) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL7502551 0.83 KDM4E (0.68) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53
SCHEMBL30380532 0.83 SMN1; SMN2 (0.64) KDM4EHSD17B10CYP3A4SMN1; SMN2TP53

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-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US claimed
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2014-04-17 US disclosed
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES INSTYTUT FARMACEUTYCZNY (PL) 2014-04-17 US disclosed
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
EP-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 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 KDM4E 1806/4885HSD17B10 74/4885CYP3A4 14/4885
US-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 KDM4E 558/4885HSD17B10 4851/4885CYP3A4 1055/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 KDM4E 1806/4885HSD17B10 74/4885CYP3A4 14/4885
US-20140107051-A1 ISOFLAVONES FOR TREATING MUCOPOLYSACCHARIDOSES GAA, MAN2B1, IDUA KDM4E 4066/4885HSD17B10 192/4885CYP3A4 1840/4885

“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.