SCHEMBL10076680

SCHEMBL10076680

COC(=O)C(C(=O)OC)[C@H]1C=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
PSMB11 A5LHX3 4/20 0.33
PSMA7 O14818 4/20 0.33
PSMB1 P20618 4/20 0.33
PSMA1 P25786 4/20 0.33
PSMA2 P25787 4/20 0.33
PSMA3 P25788 4/20 0.33
PSMA4 P25789 4/20 0.33
PSMB8 P28062 4/20 0.33
PSMB9 P28065 4/20 0.33
PSMA5 P28066 4/20 0.33
PSMB4 P28070 4/20 0.33
PSMB6 P28072 4/20 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
SCHEMBL21531500 1.00 THRB (0.39) THRBALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL15973796 1.00 THRB (0.39) THRBALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL16599630 0.89 MAPT (0.40) THRBALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL15974381 0.89 MAPT (0.40) THRBALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL10835660 0.83 L3MBTL1 (0.41) ALDH1A1NPSR1TSHRKMT2APSMB11
SCHEMBL16614399 0.81 MAPT (0.37) THRBALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL2919617 0.77 PSMB1 (0.34) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL6312583 0.76 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRPSMB11PSMA7
SCHEMBL10337081 0.75 PSMB11 (0.34) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL10836267 0.73 MAPT (0.39) THRBALDH1A1TP53SMN1; SMN2TSHR

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-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT THRB 1778/4885ALDH1A1 4283/4885NPSR1 3803/4885

“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.