SCHEMBL5038883

SCHEMBL5038883

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
ATM Q13315 4/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CES2 O00748 1/20 0.50
PKM P14618 1/20 0.50
CES1 P23141 1/20 0.50
MPI P34949 1/20 0.50
MCL1 Q07820 1/20 0.44
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7961019 0.82 MAPT (0.47) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL49783 0.73 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL9960161 0.73 HMGCR (0.38) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL28760815 0.71 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL18551995 0.70 MEN1 (0.34) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL2576988 0.70 MAPT (0.48) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL853674 0.69 MAPT (0.52) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL22805 0.69 MAPT (0.46) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL359232 0.69 ATM (0.52) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL2552489 0.68 MAPT (0.43) MAPTALDH1A1ATMHPGDNPSR1

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
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
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
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 MAPT 1006/4885ALDH1A1 465/4885ATM 3604/4885

“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.