SCHEMBL12876227

SCHEMBL12876227

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.38
PPARD Q03181 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1711012 0.87 TSHR (0.50) TSHRTP53TDP1POLBPPARD
SCHEMBL27268583 0.83 TSHR (0.42) TSHRTP53TDP1POLBPPARD
SCHEMBL12456072 0.83 TSHR (0.42) TSHRTP53TDP1POLBPPARD
SCHEMBL10201143 0.76 TSHR (0.50) TSHRTP53TDP1POLBPPARD
SCHEMBL12890038 0.75 POLB (0.43) TSHRTP53TDP1POLBPPARD
SCHEMBL12876259 0.73 TSHR (0.42) TSHRTP53TDP1POLBPPARD
SCHEMBL14827441 0.73 TSHR (0.42) TSHRTP53TDP1POLBPPARD
SCHEMBL10911354 0.73 TSHR (0.53) TSHRTP53TDP1POLBPPARD
SCHEMBL403439 0.72 TSHR (0.46) TSHRTP53TDP1POLBPPARD
SCHEMBL14064086 0.72 TSHR (0.46) TSHRTP53TDP1POLBPPARD

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 1365/4885TP53 624/4885TDP1 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.