SCHEMBL6767978

SCHEMBL6767978

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)cc2C(C)(C)C)(COC(=O)CCc2cc(C(C)(C)C)c(O)cc2C(C)(C)C)COC(=O)CCc2cc(C(C)(C)C)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
ATP2A2 P16615 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATP2A3 Q93084 1/20 0.43
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.35
APP P05067 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KMT2A Q03164 1/20 0.33
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7240605 0.89 GAA (0.41) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL10704454 0.84 GAA (0.50) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL3465052 0.84 GAA (0.54) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL10691039 0.82 GAA (0.48) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL6712918 0.80 GAA (0.46) GAAALDH1A1
SCHEMBL10749478 0.80 GAA (0.46) GAAALDH1A1
SCHEMBL9487932 0.80 APP (0.52) GAAALOX15ALDH1A1LMNAAPP
SCHEMBL2136221 0.79 GAA (0.50) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL692695 0.79 GAA (0.58) GAAALOX15ALDH1A1MAPTKDM4E
SCHEMBL3400004 0.78 GAA (0.43) GAAALOX15ALDH1A1MAPTKDM4E

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-20040210078-A1 Satbilisation of ethylenically-unsaturated compounds with amidoximes SUTORIS HEINZ FRIEDRICH 2004-10-21 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-20040210078-A1 Satbilisation of ethylenically-unsaturated compounds with amidoximes PNMT, NIT2, NNMT GAA 3181/4885ALOX15 42/4885ALDH1A1 3694/4885

“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.