SCHEMBL4871813

SCHEMBL4871813

C1OCOCO1.C1OCOCO1.CC(C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.37
SLC7A5 Q01650 2/20 0.36
GABRR1 P24046 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
Oxirane SCHEMBL15286473 0.87
SCHEMBL17767389 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
SCHEMBL2531259 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
Hydrogen Peroxide SCHEMBL28852493 0.82
SCHEMBL4640114 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
SCHEMBL5940223 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
SCHEMBL405938 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
SCHEMBL10857351 0.82
SCHEMBL2774033 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP
SCHEMBL17767367 0.82 TP53 (0.61) TP53TSHRALDH1A1SLC7A5RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
US-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same JOHNS HOPKINS UNIVERSITY-LICENSE & TECHNOLOGY DEVE (US) 2006-06-29 US disclosed
WO-2004028476-A2 ARTEMISININ-DERIVED TRIOXANE DIMERS JOHNS HOPKINS UNIVERSITY (US) 2004-04-08 WO 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-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same HCCS, ACIN1, ADH1A TP53 1140/4885TSHR 3361/4885ALDH1A1 175/4885

“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.