SCHEMBL4975014

SCHEMBL4975014

CC1=C(C(C)C)C(=O)C(C(C)C)=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.48
PLK1 P53350 1/20 0.48
PLK2 Q9NYY3 1/20 0.48
PTPN1 P18031 1/20 0.44
HIF1A Q16665 3/20 0.39
EPAS1 Q99814 3/20 0.39
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18992936 0.82 EEF2K (0.52) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL9655489 0.81 EEF2K (0.47) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL17499950 0.77 EEF2K (0.47) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL14179706 0.74 PTPN1 (0.40) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL14179694 0.74 PTPN1 (0.44) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL14179705 0.74 PTPN1 (0.40) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL11602759 0.70 PLK1 (0.75) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL28371005 0.67 EEF2K (0.34) EEF2KPLK1PLK2
SCHEMBL11429279 0.67 PLK1 (0.45) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL18235046 0.67 EEF2K (0.36) EEF2KPLK1PLK2PTPN1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933821-B1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS INC (US) 2020-07-29 EP disclosed
EP-1933821-B1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS INC (US) 2020-07-29 EP disclosed
US-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
EP-1933821-A1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS Edison Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
WO-2007035496-A1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS EDISON PHARMACEUTICALS, INC. (US) 2007-03-29 WO disclosed
WO-2007035496-A1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS EDISON PHARMACEUTICALS, INC. (US) 2007-03-29 WO disclosed
US-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-03-29 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-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers FH, NDUFAB1, ECHS1 EEF2K 922/4885PLK1 3047/4885PLK2 2647/4885

“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.