SCHEMBL22374669

SCHEMBL22374669

CC(C)CC(=O)NCCOCC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 7/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PSMB5 P28074 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL22837676 0.97 KMT2A (0.46) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL19500900 0.97 KMT2A (0.46) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL12591674 0.92 KMT2A (0.41) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL23945685 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL16674308 0.85 KMT2A (0.53) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL24812855 0.85 KMT2A (0.43) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL21107578 0.84 MEN1 (0.44) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL22054928 0.83 KMT2A (0.57) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL23665082 0.83 KMT2A (0.57) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL18908729 0.83 KMT2A (0.57) SMN1; SMN2TP53KMT2AMEN1HPGD

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 SMN1; SMN2 1455/4885TP53 153/4885KMT2A 3392/4885

“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.