SCHEMBL12876222

SCHEMBL12876222

C=C(P(C)(=O)O)P(=O)(O)OCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
BTN3A1 O00481 1/20 0.31
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL28509328 0.84 TSHR (0.42) TSHRPPARDTP53TDP1CA2
SCHEMBL8346052 0.78
SCHEMBL12890100 0.75 PPARD (0.35) TSHRPPARDTP53TDP1
SCHEMBL11336920 0.74
SCHEMBL8912172 0.73 TSHR (0.40) TSHRPPARDTP53TDP1CA2
SCHEMBL28054038 0.72
SCHEMBL3625766 0.71 PPARD (0.39) TSHRPPARDTP53TDP1CA2
SCHEMBL11856985 0.71 PPARD (0.39) TSHRPPARDTP53TDP1CA2
SCHEMBL2356791 0.70 TSHR (0.48) TSHRPPARDTP53TDP1CA2
SCHEMBL17737221 0.69

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 4562/4885TP53 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.