SCHEMBL23731908

SCHEMBL23731908

CCOC(=O)C(CC(=O)CC)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 2/20 0.47
MMP8 P22894 2/20 0.46
MDM2 Q00987 1/20 0.45
PIN1 Q13526 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3607036 0.88 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL8775304 0.87 KMT2A (0.57) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3494511 0.86 KMT2A (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL973673 0.86 KMT2A (0.69) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL4666968 0.86 MEN1 (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL436607 0.84 TRPA1 (0.48) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL5450997 0.83 MEN1 (0.56) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL11785273 0.83 ADRB2 (0.40) KMT2AMEN1NPC1MDM2ALDH1A1
SCHEMBL3589983 0.82 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL12003491 0.81 MEN1 (0.53) KMT2AMEN1NPC1TDP1MMP8

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-20210236463-A1 beta-LACTAMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2021-08-05 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-20210236463-A1 beta-LACTAMASE INHIBITOR MGAM, CMBL, MGAM2 KMT2A 1387/4885MEN1 2730/4885NPC1 3155/4885

“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.