SCHEMBL95223

SCHEMBL95223

COc1cc([C@@H]2c3cc4c(cc3[C@@H](C[C@@H]3C[C@@H]5COC(c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
TOP2A P11388 5/20 0.67
GAA P10253 4/20 0.67
TOP2B Q02880 4/20 0.67
NCOA3 Q9Y6Q9 2/20 0.67
ATM Q13315 1/20 0.67
USP2 O75604 1/20 0.67
ABCC3 O15438 1/20 0.67
ABCC4 O15439 1/20 0.67
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL15112706 0.86 CYP3A4 (0.78) CYP3A4SMN1; SMN2TOP2AGAATOP2B
SCHEMBL12232187 0.86 CYP3A4 (0.78) CYP3A4SMN1; SMN2TOP2AGAATOP2B
SCHEMBL16436129 0.86 CYP3A4 (0.78) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL13809319 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL14008692 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL23202938 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL94844 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL12278906 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL14031677 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B
Teniposide SCHEMBL13712547 0.81 CYP3A4 (1.00) CYP3A4SMN1; SMN2TOP2AGAATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
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 4577/4885SMN1; SMN2 1795/4885TOP2A 2073/4885

“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.