SCHEMBL14463511

SCHEMBL14463511

CN[C@H]1CC(=O)N(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 1/20 0.39
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL5237110 1.00 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5240143 0.98 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL16378120 0.80 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL12994836 0.80 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL21734377 0.78 ALDH1A1 (0.36) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL23978582 0.77 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL13317748 0.77 KMT2A (0.53) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL16925898 0.76 ALDH1A1 (0.33) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL15872076 0.76 KDM4E (0.31) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL21895951 0.75 CYP1A2 (0.47) ALDH1A1GAAKDM4EMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115412-A1 SEPARATION OF VANCOMYCIN AND ITS DEGRADATION PRODUCTS SAVARA INC. 2020-04-16 US disclosed
EP-2922575-B1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF HARVARD COLLEGE (US) 2019-06-26 EP disclosed
EP-1477512-B1 Silicone-modified antimicrobial polymer, antimicrobial agent and antimicrobial resin composition CHISSO CORP (JP) 2007-07-25 EP 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-20200115412-A1 SEPARATION OF VANCOMYCIN AND ITS DEGRADATION PRODUCTS VNN1, VKORC1, MMP24 ALDH1A1 3272/4885GAA 1388/4885KDM4E 4514/4885

“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.