SCHEMBL5771901

SCHEMBL5771901

Cc1c(O)cc(C(C)C)c2c1CCC(C)(CCCCl)O2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.51
PDPK1 O15530 1/20 0.51
PHLPP1 O60346 1/20 0.51
ILK Q13418 1/20 0.51
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GSTP1 P09211 1/20 0.47
TTPA P49638 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX5 P09917 4/20 0.46
NR1I2 O75469 2/20 0.46
PSEN1 P49768 2/20 0.41

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
SCHEMBL5774561 0.84 AKT1 (0.48) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL5773613 0.77 AKT1 (0.73) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL29356916 0.76 MAPT (0.66) LMNAMAPTMEN1KMT2AGSTP1
SCHEMBL4470414 0.75 ALOX5 (0.37) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL5773191 0.75 AKT1 (0.48) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL14695837 0.73 LMNA (0.71) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL39202 0.73 LMNA (0.71) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL3460249 0.73 LMNA (0.71) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL17874902 0.73 LMNA (0.71) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL2695150 0.73 LMNA (0.71) AKT1PDPK1PHLPP1ILKLMNA

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 4 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 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

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-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN AKT1 3301/4885PDPK1 1893/4885PHLPP1 2723/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885

“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.