SCHEMBL19628748

SCHEMBL19628748

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.41
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HMGCR P04035 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 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
SCHEMBL8582602 0.84 TSHR (0.46) TSHRTP53TDP1PPARDCA12
SCHEMBL16469354 0.79 TSHR (0.46) TSHRTP53TDP1PPARDHMGCR
SCHEMBL13657439 0.78 TSHR (0.50) TSHRTP53TDP1PPARDHMGCR
SCHEMBL9115350 0.78 TSHR (0.50) TSHRTP53TDP1PPARDHMGCR
SCHEMBL11737002 0.77 TSHR (0.43) TSHRTP53TDP1PPARDCA12
SCHEMBL2962705 0.77 CYP3A4 (0.54) TSHR
SCHEMBL11778957 0.75 PPARD (0.43) TSHRTP53TDP1PPARDCA12
SCHEMBL3393814 0.75 TSHR (0.42) TSHRTP53TDP1PPARD
SCHEMBL9115357 0.74 TSHR (0.46) TSHRTP53TDP1PPARDCA12
SCHEMBL11507905 0.74 TSHR (0.46) TSHRTP53TDP1PPARDHMGCR

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-20170334937-A1 PYRIMIDINE PHOSPHONIC ACID ESTERS SUN PHARMACEUTICAL INDUSTRIES, INC. 2017-11-23 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-20170334937-A1 PYRIMIDINE PHOSPHONIC ACID ESTERS TYMP, DPYD, PPA1 TSHR 4156/4885TP53 612/4885TDP1 166/4885

“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.