SCHEMBL21975867

SCHEMBL21975867

CC(C)(C)OC(=O)NCCCNC(=O)C12CC3CCC1C[C@@]1(OOC4(CCC(CC(=O)O)CC4)O1)C(C3)C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL21975805 0.79 KCNH2 (0.39) DGAT1KCNH2MEN1GAAKMT2A
SCHEMBL21903344 0.79 KCNH2 (0.39) DGAT1KCNH2MEN1GAAKMT2A
SCHEMBL21903388 0.70 KCNH2 (0.37) DGAT1KCNH2
SCHEMBL21976599 0.70 KCNH2 (0.37) DGAT1KCNH2
SCHEMBL21903386 0.70 KCNH2 (0.37) DGAT1KCNH2
SCHEMBL17021147 0.66 KCNH2 (0.46) KCNH2MEN1GAAKMT2A
SCHEMBL15778708 0.63 KMT2A (0.47) MEN1GAAKMT2A
SCHEMBL20991291 0.62 EPHX1 (0.34) KCNH2MEN1GAAKMT2A
SCHEMBL16710278 0.60 KCNH2 (0.67) KCNH2
SCHEMBL15787083 0.60 KCNH2 (0.67) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072594-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-20200140406-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 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 (2 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-11072594-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 DGAT1 311/4885KCNH2 4109/4885MEN1 2610/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 DGAT1 311/4885KCNH2 4109/4885MEN1 2610/4885

“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.