SCHEMBL13876121

SCHEMBL13876121

CCC(=O)OCOC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAAA Q02083 1/20 0.41
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SOAT1 P35610 1/20 0.35
HTT P42858 2/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2184225 0.89 MGAM (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31314505 0.88 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14003419 0.87 MGAM (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL681192 0.84 NAAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13141524 0.82 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
Methane SCHEMBL6300031 0.81 NAAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12971698 0.80 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25298354 0.79 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25290792 0.79 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1332259 0.79

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-20090092648-A1 ANTIMICROBIAL POLYMER COMPOSITIONS AND THE USE THEREOF ETHICON, INC. (US) 2009-04-09 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-20090092648-A1 ANTIMICROBIAL POLYMER COMPOSITIONS AND THE USE THEREOF PAM, ARG1, HRH3 GAA 4057/4885MGAM 827/4885SI 4213/4885

“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.