SCHEMBL2070375

SCHEMBL2070375

CC(=O)Oc1oc2cc(O)cc(OC(C)=O)c2c(=O)c1-c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
KDM4E B2RXH2 7/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
PREP P48147 2/20 0.43
CELA1 Q9UNI1 1/20 0.43
CYP3A4 P08684 5/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
NOX4 Q9NPH5 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.42
POLH Q9Y253 2/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL7195852 0.77 KDM4E (0.75) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL7496403 0.76 ADORA3 (0.51) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL3358058 0.74 CYP3A4 (0.64) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL12470191 0.74 KDM4E (0.47) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL28415933 0.74 ADORA3 (0.70) KDM4EMAPTPOLBRAB9AADORA3
SCHEMBL11244826 0.72 MEN1 (0.52) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL28410849 0.72 ADORA3 (0.79) KDM4EMAPTPOLBRAB9AADORA3
SCHEMBL10472254 0.71 KDM4E (0.72) KDM4EMAPTRAB9AADORA3CYP3A4
SCHEMBL7564891 0.70 SMN1; SMN2 (0.73) ESR1KDM4EMAPTPOLBRAB9A
SCHEMBL27772065 0.70 POLH (0.76) KDM4EMAPTPOLBCYP3A4HSD17B10

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 ESR1 232/4885KDM4E 1806/4885MAPT 3761/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ESR1 232/4885KDM4E 1806/4885MAPT 3761/4885

“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.