SCHEMBL13530352

SCHEMBL13530352

CCOP(=O)(CCOCC=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
TSHR P16473 2/20 0.43
AOX1 Q06278 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL13530350 0.82 PPARD (0.45) PPARDTSHRTP53TDP1
SCHEMBL4882046 0.81 PPARD (0.56) PPARDTSHRTP53TDP1
SCHEMBL4164665 0.81 PPARD (0.56) PPARDTSHRTP53TDP1
SCHEMBL4881306 0.81 PPARD (0.56) PPARDTSHRTP53TDP1
SCHEMBL9000185 0.79 TSHR (0.46) PPARDTSHRAOX1TP53TDP1
SCHEMBL23786286 0.77 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL19352052 0.77 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL23430674 0.77 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL3220479 0.75 PPARD (0.50) PPARDTSHRTP53TDP1
SCHEMBL2382808 0.74 PPARD (0.54) PPARDTSHRAOX1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN PPARD 1752/4885TSHR 4311/4885AOX1 4211/4885

“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.