SCHEMBL12876257

SCHEMBL12876257

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
PPARD Q03181 2/20 0.40
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FDPS P14324 2/20 0.34
LAP3 P28838 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
METAP1 P53582 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL11598870 0.88 TSHR (0.42) TSHRPPARDTDP1TP53CA12
SCHEMBL28094103 0.84 PPARD (0.39) TSHRPPARDTDP1TP53CA12
SCHEMBL8069890 0.78
SCHEMBL8913257 0.77 TSHR (0.40) TSHRPPARDTDP1TP53FDPS
SCHEMBL7894086 0.76
SCHEMBL12876248 0.76 PPARD (0.39) TSHRPPARDTDP1TP53CA12
SCHEMBL27268583 0.74 TSHR (0.42) TSHRPPARDTDP1TP53FDPS
SCHEMBL10859409 0.73 TSHR (0.40) TSHRPPARDTDP1TP53FDPS
SCHEMBL457918 0.73 LAP3 (0.44) TSHRPPARDTDP1TP53LAP3
Hydrochloric Acid SCHEMBL11048279 0.73 TSHR (0.40) TSHRPPARDTDP1TP53LAP3

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 TSHR 1365/4885PPARD 4562/4885TDP1 4817/4885

“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.