SCHEMBL4160213

SCHEMBL4160213

CC(=O)OC1CC(OC(C)=O)CC(C)(OC(C)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL14141163 0.75 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6653691 0.75 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10449210 0.75 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19696795 0.74 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL21827729 0.74 ALOX15 (0.35) CYP3A4ALOX15SCN1ASCN2ASCN3A
SCHEMBL29209882 0.73 ALOX15 (0.30) ALOX15
SCHEMBL28277463 0.72 ALOX15 (0.34) ALOX15
SCHEMBL35210215 0.72 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28677870 0.72 KMT2A (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7334201 0.71 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20090098059-A1 CONTRAST AGENTS WYNN DUNCAN 2009-04-16 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-20090098059-A1 CONTRAST AGENTS IPO4, IPO11, IPO8 CHRM2 3629/4885CHRM4 3656/4885CHRM5 3686/4885

“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.