SCHEMBL21903386

SCHEMBL21903386

CCOC(=O)CC1CCC2(CC1)OO[C@@]1(O2)[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)NCCCNC(=O)OC(C)(C)C)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
EPHX2 P34913 5/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
DGAT1 O75907 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CACNA1H O95180 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
SCHEMBL21976599 1.00 KCNH2 (0.37) KCNH2EPHX2POLBLMNACYP3A4
SCHEMBL21903388 1.00 KCNH2 (0.37) KCNH2EPHX2POLBLMNACYP3A4
SCHEMBL21975805 0.90 KCNH2 (0.39) KCNH2EPHX2POLBCYP3A4CYP2C9
SCHEMBL21903344 0.90 KCNH2 (0.39) KCNH2EPHX2POLBCYP3A4CYP2C9
SCHEMBL21976598 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL21975806 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL21903367 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL21903362 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL21903365 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL21903363 0.80 KCNH2 (0.44) KCNH2LMNACYP3A4CYP2C9CYP2C19

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 KCNH2 4109/4885EPHX2 203/4885POLB 709/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885EPHX2 203/4885POLB 709/4885

“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.