SCHEMBL2088558

SCHEMBL2088558

COc1cccc(OC)c1COc1cccc(C(=O)CCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.45
NR4A2 P43354 3/20 0.45
PKM P14618 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL2088207 0.85 CTNNB1 (0.46) ALDH1A1HTTLMNAMAPK1TDP1
SCHEMBL237393 0.84 HPGD (0.50) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL2088041 0.83 HPGD (0.49) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
Potassium SCHEMBL2089657 0.83 HPGD (0.49) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL2088037 0.83 HPGD (0.49) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL2089649 0.83 HPGD (0.49) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL1760752 0.83 HPGD (0.48) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL2087585 0.82 MAOB (0.62) ALDH1A1L3MBTL1MAOB
SCHEMBL4722288 0.82 ALDH1A1 (0.69) HPGDALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL30416831 0.82 ALDH1A1 (0.69) HPGDALDH1A1CYP1A2CYP2C19HSD17B10

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461323-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-09 EP claimed
US-8487000-B2 4-(3-(2,6-Dimethoxybenzyloxy)phenyl)-4-oxobutyric acid or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis Wellstat Therapertics Corporation (US) 2013-07-16 US claimed
JP-4711621-B2 2011-06-29 JP claimed
CN-100344616-C Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2007-10-24 CN claimed
US-20050090555-A1 Compound for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2005-04-28 US claimed
CN-1608055-A Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2005-04-20 CN claimed
US-20040242692-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-02 US claimed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP claimed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US claimed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 WO claimed
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-8604083-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-10 US disclosed
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-24 US disclosed
US-20040092516-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040092518-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040077896-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-04-22 US disclosed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US disclosed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 WO 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 (7 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-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885
US-20050090555-A1 Compound for the treatment of metabolic disorders GOT2, OAT, GPR119 HPGD 379/4885ALDH1A1 1244/4885CYP1A2 2218/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HPGD 381/4885ALDH1A1 1035/4885CYP1A2 1746/4885

“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.