SCHEMBL10119092

SCHEMBL10119092

CCOP(=O)(OCC)C(C)(C)COCl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.39
PPARD Q03181 2/20 0.31

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
SCHEMBL3393814 0.73 TSHR (0.42) TP53TDP1TSHRPPARD
SCHEMBL8589626 0.72 TP53 (0.48) TP53TDP1TSHRPPARD
SCHEMBL9115350 0.71 TSHR (0.50) TP53TDP1TSHRPPARD
SCHEMBL13657439 0.71 TSHR (0.50) TP53TDP1TSHRPPARD
SCHEMBL11979560 0.70 TSHR (0.31) TSHR
SCHEMBL10285874 0.70 TSHR (0.39) TP53TDP1TSHRPPARD
SCHEMBL3131911 0.69 TP53 (0.50) TP53TDP1TSHRPPARD
SCHEMBL2464733 0.69 TP53 (0.50) TP53TDP1TSHRPPARD
SCHEMBL10968757 0.68 PPARD (0.38) TP53TDP1TSHRPPARD
SCHEMBL11507905 0.67 TSHR (0.46) TP53TDP1TSHRPPARD

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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP TP53 1846/4885TDP1 3910/4885TSHR 4335/4885

“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.