SCHEMBL2733742

SCHEMBL2733742

CC1(C)CCC(CN)C(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17977223 0.82 GAA (0.39) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL1932618 0.79 GAA (0.50) GAAL3MBTL1
SCHEMBL7982575 0.74 GAA (0.37) GAAL3MBTL1
SCHEMBL10597667 0.72 GAA (0.41) GAAL3MBTL1KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7607254 0.71 GAA (0.40) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL4449961 0.70 GAA (0.60) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL19186311 0.70 GAA (0.43) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL28279306 0.68 GAA (0.41) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL6066246 0.68 GAA (0.41) GAAL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL26496953 0.68 GAA (0.47) GAAL3MBTL1

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
US-9718957-B2 Biodegradable organic radical-functionalized polycarbonates for medical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 US disclosed
US-20160220705-A1 BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-04 US disclosed
US-20130338110-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS WISCONSIN MED COLLEGE INC (US) 2013-12-19 US disclosed
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
EP-2139522-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS Colby Pharmaceutical Company (US) 2010-01-06 EP disclosed
WO-2008109740-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS COLBY PHARMACEUTICAL COMPANY (US) 2008-09-12 WO 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 (3 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-20130338110-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
US-20160220705-A1 BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS OGFOD1, POF1B, PPOX GAA 1750/4885L3MBTL1 2335/4885KDM4E 1996/4885
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.