SCHEMBL5079945

SCHEMBL5079945

COc1ccc(OC(=O)OC(=O)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL5864967 0.87 CES2 (0.54) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL219040 0.83 CES2 (0.54) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL1398350 0.83 CES2 (0.58) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL27862957 0.79 TDP1 (0.44) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL697317 0.79 CA1 (0.56) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL6223085 0.78 ESR2 (0.54) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL16675176 0.77 CES2 (0.52) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL8065698 0.77 ESR2 (0.58) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL13019255 0.77 CA1 (0.54) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL25022311 0.75 ESR2 (0.61) CES2CES1CA1CA2SMN1; SMN2

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-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 CES2 1253/4885CES1 1064/4885CA1 2523/4885

“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.