SCHEMBL6070732

SCHEMBL6070732

CCOP(=O)(OCC)P(=O)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARD Q03181 2/20 0.39
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11426008 0.87 TSHR (0.62) TSHRTP53TDP1PPARDACHE
SCHEMBL1486811 0.81 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL7671005 0.78 MEN1 (0.39) TSHRTP53TDP1MEN1KMT2A
SCHEMBL8062937 0.74 TSHR (0.48) TSHRTP53TDP1PPARDMEN1
SCHEMBL388425 0.73
SCHEMBL575185 0.73 TSHR (0.71) TSHRTP53TDP1PPARDACHE
SCHEMBL8858060 0.71 TSHR (0.50) TSHRTP53TDP1PPARD
SCHEMBL6966905 0.71
SCHEMBL20261798 0.71 TSHR (0.67) TSHRTP53TDP1PPARDACHE
Ammonia Solution, Strong SCHEMBL9049883 0.71 TSHR (0.67) TSHRTP53TDP1PPARDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533344-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR Ube Industries, Ltd. (JP) 2012-12-12 EP disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
CN-1071751-C Reversible protease inhibitors ARRIS PHARM CORP (US) 2001-09-26 CN disclosed
CN-1184472-A Reversible protease inhibitors ARRIS PHARM CORP (US) 1998-06-10 CN 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-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 TSHR 840/4885TP53 4851/4885TDP1 3958/4885

“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.