SCHEMBL12876190

SCHEMBL12876190

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.48
TSHR P16473 2/20 0.39
HMGCR P04035 2/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
PPARD Q03181 1/20 0.34
METAP1 P53582 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
SCHEMBL19792815 0.83 GABBR2 (0.41) TSHRHMGCRTP53TDP1POLB
SCHEMBL12876259 0.82 TSHR (0.42) TSHRHMGCRTP53TDP1POLB
SCHEMBL19792824 0.82 CYP1A2 (0.41) FDPSTSHRHMGCRPOLB
SCHEMBL13334729 0.76 FDPS (0.52) FDPSTSHRHMGCRTP53TDP1
SCHEMBL2821620 0.76 POLB (0.44) FDPSTSHRTP53TDP1POLB
SCHEMBL12876198 0.75 FDPS (0.50) FDPSTSHRTP53TDP1PPARD
SCHEMBL9652021 0.74 TSHR (0.48) TSHRHMGCRTP53TDP1POLB
SCHEMBL19939425 0.74 TSHR (0.37) TSHRHMGCRTP53TDP1POLB
SCHEMBL28362519 0.72 FDPS (0.64) FDPSTSHRTP53TDP1PPARD
SCHEMBL14010336 0.71 TSHR (0.40) FDPSTSHRTP53TDP1POLB

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 FDPS 4834/4885TSHR 1365/4885HMGCR 4229/4885

“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.