SCHEMBL2070801

SCHEMBL2070801

CC(=O)Oc1ccc(C2COc3cc(OC(C)=O)cc(OC(C)=O)c3C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 6/20 0.39
PTPN1 P18031 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 6/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 1/20 0.36
ABCB1 P08183 1/20 0.36
PGR P06401 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3955057 0.88 LMNA (0.39) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL3955055 0.88 LMNA (0.39) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL6941593 0.88 LMNA (0.39) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL4298902 0.88 LMNA (0.39) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL7499651 0.83 CYP3A4 (0.41) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL1724274 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2070082 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL1724275 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL1725625 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2070800 0.77 CYP3A4 (0.46) CYP3A4ALDH1A1SMN1; SMN2MAPK1MEN1

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 4 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-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

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 CYP3A4 14/4885ALDH1A1 2979/4885SMN1; SMN2 3368/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 CYP3A4 14/4885ALDH1A1 2979/4885SMN1; SMN2 3368/4885

“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.