SCHEMBL18300022

SCHEMBL18300022

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM5 P08912 3/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 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
SCHEMBL18300021 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL1795613 0.91
SCHEMBL13774729 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL14127634 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL4100876 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL6653691 0.80 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL10449210 0.80 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL14141163 0.80 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL5985695 0.78 TDP1 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL11547378 0.78 TDP1 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017559-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-20 US disclosed
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-25 US disclosed
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-08 US disclosed
US-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-26 US disclosed
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 US disclosed
US-10287312-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-14 US disclosed
US-20160362439-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-15 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 (7 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-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-20220017559-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-20160362439-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-10287312-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 CHRM2 3452/4885CHRM4 3529/4885CHRM1 2593/4885
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, GPX1 CHRM2 2574/4885CHRM4 3033/4885CHRM1 1888/4885

“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.