SCHEMBL415775

SCHEMBL415775

CCOP(C)(=O)OCC.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PPARD Q03181 2/20 0.42
ACHE P22303 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL281924 0.97
Water SCHEMBL28132240 0.93 TSHR (0.56) TSHRTP53TDP1PPARDACHE
Fluoride SCHEMBL28031693 0.93 TSHR (0.56) TSHRTP53TDP1PPARDACHE
Phosphine SCHEMBL28536493 0.93 TSHR (0.65) TSHRTP53TDP1PPARDACHE
Acetic Acid SCHEMBL27560627 0.83 TSHR (0.46) TSHRTP53TDP1PPARD
SCHEMBL575135 0.83 TSHR (0.46) TSHRTP53TDP1PPARD
SCHEMBL575278 0.81
SCHEMBL30295599 0.81 TSHR (0.43) TSHRTP53TDP1PPARDACHE
SCHEMBL26277114 0.81 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL28419585 0.79

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-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
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP TSHR 4335/4885TP53 1846/4885TDP1 3910/4885

“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.