SCHEMBL12786286

SCHEMBL12786286

CC(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
NR1I2 O75469 1/20 0.30
ABCB11 O95342 1/20 0.30

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
SCHEMBL7506112 0.89 GAA (0.46) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL26083007 0.86 GAA (0.43) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL13297030 0.85 CYP2D6 (0.39) GAAHTTCYP2D6LMNATSHR
SCHEMBL26083009 0.84 GAA (0.44) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL12368549 0.83 GAA (0.42) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL18237273 0.82 GAA (0.43) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL13660731 0.82 TSHR (0.38) GAAHTTCYP2D6LMNATSHR
SCHEMBL21236004 0.82 GAA (0.41) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL26083008 0.82 GAA (0.41) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL4960656 0.80 GAA (0.40) GAAHTTCYP2D6LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466130-B2 Mitochondria targeted cationic anti-oxidant compounds for prevention, therapy or treatment of hyper-proliferative disease, neoplasias and cancers COLBY PHARMACEUTICAL COMPANY (US) 2013-06-18 US disclosed
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS COLBY PHARMACEUTICAL COMPANY (US) 2011-03-10 US disclosed
US-7608659-B2 Conductive material mixed composition ADEKA CORPORATION (JP) 2009-10-27 US disclosed
US-20090072204-A1 CONDUCTIVE MATERIAL MIXED COMPOSITION ADEKA CORPORATION (JP) 2009-03-19 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-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN GAA 1476/4885HTT 275/4885CYP2D6 2915/4885

“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.