SCHEMBL23732253

SCHEMBL23732253

CCOC(=O)c1cc(CC)[nH]c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.63
PDE3A Q14432 2/20 0.63
TSHR P16473 2/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK10 P53779 1/20 0.52
KMT2A Q03164 1/20 0.52
MDM2 Q00987 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
GCGR P47871 1/20 0.49
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL28290976 0.87 PDE3B (0.64) PDE3BPDE3ATSHRMAPTALDH1A1
SCHEMBL29158833 0.80 MAPT (0.44) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL29159047 0.79 PDE3B (0.42) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL4183471 0.79 GCGR (0.78) PDE3BPDE3AGCGRMAPK1NPSR1
SCHEMBL30741073 0.79 PDE3B (0.56) PDE3BPDE3ATSHRMAPTALDH1A1
SCHEMBL30741015 0.78 GCGR (0.60) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL29159037 0.78 GCGR (0.57) PDE3BPDE3ATSHRMAPTALDH1A1
SCHEMBL30740993 0.78 GCGR (0.63) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL30741049 0.78 PDE3B (0.55) PDE3BPDE3ATSHRMAPTALDH1A1
SCHEMBL29158881 0.78 MAPT (0.48) PDE3BPDE3AMAPTALDH1A1KDM4E

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 PDE3B 1994/4885PDE3A 1844/4885TSHR 3920/4885

“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.