SCHEMBL94985

SCHEMBL94985

C[C@@H]1COC2OC(O[C@@H]3c4cc5c(cc4[C@@H](c4cc(CO)c(O)c(CO)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)[C@H](O)[C@@H](O)[C@@H]2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.61
GAA P10253 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TOP2A P11388 5/20 0.61
TOP2B Q02880 4/20 0.61
LMNA P02545 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NCOA3 Q9Y6Q9 2/20 0.61
HSD17B10 Q99714 2/20 0.61
HIF1A Q16665 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NCOA1 Q15788 1/20 0.61
SLCO1B3 Q9NPD5 1/20 0.61
ATM Q13315 1/20 0.53
USP2 O75604 1/20 0.53
ABCC3 O15438 1/20 0.53

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
SCHEMBL172914 0.89 CYP3A4 (0.76) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15060571 0.86 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL16606226 0.86 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL94972 0.86 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL12308351 0.86 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL17816434 0.81 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL422175 0.81 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL10061877 0.81 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL13818627 0.81 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15472841 0.81 CYP3A4 (0.89) 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.