SCHEMBL5773379

SCHEMBL5773379

CC1(CCC(=O)O)CCc2cc(O)ccc2O1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.64
ALOX5 P09917 5/20 0.47
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
BCHE P06276 1/20 0.43
NR1I2 O75469 2/20 0.41
CTSB P07858 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
RXRA P19793 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL4194290 0.86 AKT1 (0.60) AKT1ALOX5PPARGPPARAPPARD
SCHEMBL5773051 0.86 AKT1 (0.60) AKT1ALOX5PPARGPPARAPPARD
SCHEMBL10636272 0.84 AKT1 (0.58) AKT1ALOX5PPARGPPARAPPARD
SCHEMBL3181335 0.82 AKT1 (0.42) AKT1ALOX5PPARGPPARAPPARD
SCHEMBL15441415 0.78 AKT1 (1.00) AKT1ALOX5NR1I2
SCHEMBL11081507 0.78 AKT1 (0.70) AKT1ALOX5BCHENR1I2
SCHEMBL30461429 0.78 ALOX5 (0.71) AKT1ALOX5PPARGPPARANR1I2
SCHEMBL6837090 0.78 AKT1 (0.62) AKT1ALOX5PPARGPPARAPPARD
SCHEMBL4639828 0.78 ALOX5 (0.71) AKT1ALOX5PPARGPPARANR1I2
Acetic Acid SCHEMBL9356676 0.77 AKT1 (0.81) AKT1ALOX5NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US claimed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US claimed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO claimed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US claimed
WO-2004045534-A2 CHROMAN DERIVATIVES FOR THE REDUCTION OF INFLAMMATION SYMPTOMS GALILEO PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms MONSANTO TECHNOLOGY LLC 2004-05-20 US claimed
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2004045534-A2 CHROMAN DERIVATIVES FOR THE REDUCTION OF INFLAMMATION SYMPTOMS GALILEO PHARMACEUTICALS, INC. (US) 2004-06-03 WO disclosed
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms MONSANTO TECHNOLOGY LLC 2004-05-20 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 (4 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-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN AKT1 3301/4885ALOX5 1992/4885PPARG 2137/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885ALOX5 1604/4885PPARG 1252/4885
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms CCL2, MPO, MB AKT1 4329/4885ALOX5 1449/4885PPARG 251/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885ALOX5 1604/4885PPARG 1252/4885

“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.