SCHEMBL12876228

SCHEMBL12876228

CCOP(=O)(O)C(COC)P(C)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
FDPS P14324 1/20 0.31
LPAR5 Q9H1C0 1/20 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
SCHEMBL12876248 0.83 PPARD (0.39) PPARDTSHRTP53TDP1CA12
SCHEMBL12876198 0.80 FDPS (0.50) PPARDTSHRTP53TDP1FDPS
SCHEMBL9402845 0.74 TSHR (0.42) PPARDTSHRTP53TDP1CA12
SCHEMBL9885852 0.73 CA2 (0.32) CA12CA1CA2CA9MMP1
SCHEMBL12876257 0.72 TSHR (0.40) PPARDTSHRTP53TDP1CA12
SCHEMBL12876206 0.71 LAP3 (0.49) TSHRMMP8
SCHEMBL11367504 0.71 FDPS (0.46) CA12CA1CA2CA9MMP1
SCHEMBL11031213 0.70 TSHR (0.42) PPARDTSHRTP53TDP1CA12
SCHEMBL28362519 0.69 FDPS (0.64) PPARDTSHRTP53TDP1FDPS
SCHEMBL9775316 0.69 FDPS (0.41) PPARDTSHRTP53TDP1FDPS

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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND EKIMOTO HISAO 2011-02-10 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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND NR3C2, NR3C1, MC5R PPARD 4562/4885TSHR 1365/4885TP53 624/4885

“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.