SCHEMBL3284980

SCHEMBL3284980

CCCCCCC(Cl)(Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.45
CES2 O00748 1/20 0.45
FDPS P14324 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 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
SCHEMBL8466412 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL7623878 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL7619946 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL658156 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL249486 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL7617795 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
SCHEMBL8464966 1.00 SMPD1 (0.45) SMPD1CES2FDPSGPR84PPARG
Hydrochloric Acid SCHEMBL11771276 0.98 SMPD1 (0.44) SMPD1CES2FDPSGPR84PPARG
SCHEMBL27446363 0.98 SMPD1 (0.44) SMPD1CES2FDPSGPR84PPARG
Ammonia Solution, Strong SCHEMBL28996637 0.98 SMPD1 (0.44) SMPD1CES2FDPSGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828768-B1 HOMOPOLYMERS AND COPOLYMERS OF CATIONICALLY POLYMERIZABLE MONOMERS AND METHOD OF THEIR PREPARATION GOODRICH CO B F (US) 2001-04-18 EP claimed
CN-117886793-A Method for preparing R-lipoic acid by chiral ion exchange chromatography 江苏同禾药业有限公司 2024-04-16 CN disclosed
WO-2023071328-A1 METHOD FOR SYNTHESIZING 8-AMINO-1-{[2-(TRIMETHYLSILYL)ETHOXY]METHOXY}OCTANE-3-ONE 苏州富士莱医药股份有限公司 2023-05-04 WO disclosed
CN-115716817-A Preparation method of 6,8-cyclotrithiooctanoic acid 国药集团威奇达药业有限公司 2023-02-28 CN disclosed
CN-115093392-A Preparation method of R-lipoic acid 苏州富士莱医药股份有限公司 2022-09-23 CN disclosed
CN-113185494-B Preparation method of R-lipoic acid 苏州富士莱医药股份有限公司 2022-04-15 CN disclosed
CN-113429386-B Synthetic method of R-lipoic acid 苏州富士莱医药股份有限公司 2022-03-18 CN disclosed
CN-113717210-B Synthesis method of 8-amino-1- { [2- (trimethylsilyl) ethoxy ] methoxy } octane-3-one 苏州富士莱医药股份有限公司 2022-02-18 CN disclosed
CN-113735895-A Preparation method of lipoic acid intermediate 苏州富士莱医药股份有限公司 2021-12-03 CN disclosed
CN-113717210-A Synthesis method of 8-amino-1- { [2- (trimethylsilyl) ethoxy ] methoxy } octane-3-one 苏州富士莱医药股份有限公司 2021-11-30 CN disclosed
US-20070167343-A1 neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-19 US disclosed
US-20070015926-A1 Method of preparing R-(+)-alpha-lipoic acid and its salt NANJING RALLY BIOCHEMICAL INC. 2007-01-18 US disclosed
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 WO disclosed
US-4938898-A Chlorination of acty chloride THE PROCTER & GAMBLE COMPANY (US) 1990-07-03 US disclosed
EP-0167202-B1 ALPHA CHLORINIATION PROCESS EMPLOYING FOOD GRADE ANTIOXIDANTS, OXYGEN OR CYANOQUINONES THE PROCTER & GAMBLE COMPANY (US) 1990-01-31 EP 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-20070015926-A1 Method of preparing R-(+)-alpha-lipoic acid and its salt RALA, LIPA, DHCR7 SMPD1 3518/4885CES2 1455/4885FDPS 1404/4885

“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.