SCHEMBL5773831

SCHEMBL5773831

COC(=O)CCC1(C)CCc2c3c(c(C)c(C)c2O1)OC(C)(CCC(=O)OC)CC3

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.47
PTPN1 P18031 1/20 0.47
ALOX5 P09917 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46
PSEN1 P49768 2/20 0.44
NR1I2 O75469 2/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
GSTP1 P09211 1/20 0.43
TTPA P49638 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14580953 0.95 GSTO1 (0.44) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL14612653 0.92 GSTO1 (0.50) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL10346392 0.91 GSTO1 (0.50) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL5773112 0.91 ALOX5 (0.57) ALOX5MEN1KMT2ANR1I2MAPT
SCHEMBL5775253 0.88 ALOX5 (0.48) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL10074182 0.86 PSEN1 (0.64) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL5806822 0.84 ALOX5 (0.57) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL5772966 0.81 AKT1 (0.61) ALOX5NR1I2
SCHEMBL9280072 0.80 PSEN1 (0.52) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL16273940 0.79 ALOX5 (0.56) ALOX5MEN1KMT2ANR1I2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070037879-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J 2007-02-15 US disclosed
US-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J 2007-02-15 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 (6 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-20070037879-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, GSTM1 GSTO1 6/4885PTPN1 2288/4885ALOX5 150/4885
US-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, GSTM1 GSTO1 6/4885PTPN1 2288/4885ALOX5 150/4885
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN GSTO1 2888/4885PTPN1 4765/4885ALOX5 1992/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 GSTO1 1664/4885PTPN1 4790/4885ALOX5 1604/4885
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms CCL2, MPO, MB GSTO1 297/4885PTPN1 2387/4885ALOX5 1449/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 GSTO1 1664/4885PTPN1 4790/4885ALOX5 1604/4885

“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.