SCHEMBL172914

SCHEMBL172914

COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5OC[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.76
GAA P10253 5/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
TOP2A P11388 5/20 0.76
TOP2B Q02880 4/20 0.76
LMNA P02545 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
NCOA3 Q9Y6Q9 2/20 0.76
HSD17B10 Q99714 2/20 0.76
HIF1A Q16665 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
NCOA1 Q15788 1/20 0.76
SLCO1B3 Q9NPD5 1/20 0.76
ATM Q13315 1/20 0.65
USP2 O75604 1/20 0.65
ABCC3 O15438 1/20 0.65

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
SCHEMBL94985 0.89 CYP3A4 (0.61) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL15259344 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL13529274 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL18071930 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL24482748 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL23064754 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL2514265 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL22594950 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL20598257 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL14234116 0.86 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 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 (1 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-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 CYP3A4 4577/4885GAA 2191/4885SMN1; SMN2 1795/4885

“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.