SCHEMBL8599636

SCHEMBL8599636

CC1(C)CC(C(=O)Cl)C(C)(C)N1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC18A2 Q05940 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
SCHEMBL697858 0.81 GAA (0.50) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL9715915 0.81 GAA (0.50) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL4397787 0.81 GAA (0.50) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL13225976 0.81 GAA (0.50) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL1933219 0.79 GAA (0.48) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL8599635 0.79 CHRNB2 (0.32) GAAL3MBTL1CHRNB2CHRNA3CHRNA4
SCHEMBL13225974 0.79 GAA (0.48) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL13225973 0.79 GAA (0.48) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL1231230 0.78 GAA (0.47) GAAL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL3057231 0.77 GAA (0.42) GAAL3MBTL1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP claimed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO claimed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 US claimed
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
EP-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP disclosed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO disclosed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 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 1476/4885L3MBTL1 1529/4885KDM4E 3413/4885

“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.