SCHEMBL2734642

SCHEMBL2734642

CC1(C)CC(OC(=O)CCCBr)CC(C)(C)N1[O]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.33
TSHR P16473 4/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 3/20 0.31

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
SCHEMBL728303 0.92 NAAA (0.47) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL2734644 0.87 GAA (0.43) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL7753713 0.85 NAAA (0.40) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL27632925 0.83 NAAA (0.43) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL1150064 0.81 CHRM2 (0.34) NAAAKMT2AGAAMEN1TSHR
SCHEMBL463020 0.79 SMN1; SMN2 (0.47) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL6299625 0.79 GAA (0.44) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL316372 0.79 SMN1; SMN2 (0.47) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL5649676 0.79 SMN1; SMN2 (0.44) NAAASMN1; SMN2KMT2AGAAMEN1
SCHEMBL755468 0.78 NAAA (0.47) NAAASMN1; SMN2KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 NAAA 1249/4885SMN1; SMN2 1845/4885KMT2A 3446/4885
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN NAAA 1249/4885SMN1; SMN2 1845/4885KMT2A 3446/4885

“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.