SCHEMBL1354985

SCHEMBL1354985

COc1cc(C(=O)O[C@@H]2CC[C@H](OC(=O)c3ccc(O)c(OC)c3)C2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
CYP2D6 P10635 2/20 0.72
HSD17B2 P37059 1/20 0.60
SHBG P04278 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SERPINE1 P05121 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN7 P35236 2/20 0.48
DUSP3 P51452 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 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
SCHEMBL1355624 1.00 KMT2A (0.74) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1356493 1.00 KMT2A (0.74) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355724 0.94 KMT2A (0.70) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355448 0.94 KMT2A (0.70) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355610 0.94 KMT2A (0.70) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355612 0.94 KMT2A (0.70) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1354951 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355607 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL1355728 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SHBG
SCHEMBL767833 0.89 KMT2A (0.67) KMT2AMEN1CYP2D6HSD17B2SHBG

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-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 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-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy PSEN2, PSEN1, VHL KMT2A 1383/4885MEN1 2016/4885CYP2D6 3773/4885

“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.