SCHEMBL23732182

SCHEMBL23732182

CCOC(=O)c1cc(CC)n(C)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 3/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL10462419 0.83 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL23732187 0.77 TSHR (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL23127819 0.76 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL7166777 0.75 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL24157409 0.75 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2GAALMNA
SCHEMBL23732185 0.75 NPSR1 (0.60) ALDH1A1HPGDSMN1; SMN2GAALMNA
SCHEMBL2213963 0.74 NPSR1 (0.70) ALDH1A1HPGDSMN1; SMN2GAALMNA
SCHEMBL17341813 0.74 TRPV1 (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL14846535 0.73 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL11890412 0.73 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2KDM4EGAA

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 ALDH1A1 683/4885HPGD 1246/4885SMN1; SMN2 3073/4885

“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.