SCHEMBL19959379

SCHEMBL19959379

COc1cc(C2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(CO)c1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.89
▸ GAA P10253 5/20 0.89
▸ SMN1; SMN2 Q16637 5/20 0.89
▸ TOP2A P11388 5/20 0.89
▸ TOP2B Q02880 4/20 0.89
▸ LMNA P02545 3/20 0.89
▸ MEN1 O00255 2/20 0.89
▸ KMT2A Q03164 2/20 0.89
▸ NCOA3 Q9Y6Q9 2/20 0.89
▸ HSD17B10 Q99714 2/20 0.89
▸ HIF1A Q16665 2/20 0.89
▸ CYP1A2 P05177 1/20 0.89
▸ CYP2D6 P10635 1/20 0.89
▸ CYP2C9 P11712 1/20 0.89
▸ CYP2C19 P33261 1/20 0.89
▸ NCOA1 Q15788 1/20 0.89
▸ SLCO1B3 Q9NPD5 1/20 0.89
▸ ATM Q13315 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ ABCC3 O15438 1/20 0.68

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
SCHEMBL15472841 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL10061877 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL13818627 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL422175 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL17816434 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL16606226 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL12308351 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15060571 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL94972 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL24482748 0.94 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-20180073077-A1 METHODS AND COMPOSITIONS FOR PREDICTION OF THERAPEUTIC EFFICACY OF CANCER TREATMENTS AND CANCER PROGNOSIS GANYMED PHARMACEUTICALS AG (DE) 2018-03-15 — — 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-20180073077-A1 METHODS AND COMPOSITIONS FOR PREDICTION OF THERAPEUTIC EFFICACY OF CANCER TREATMENTS AND CANCER PROGNOSIS TP53, MKI67, TSG101 CYP3A4 4721/4885GAA 2958/4885SMN1; SMN2 1555/4885

“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.

Send feedback