SCHEMBL5477295

SCHEMBL5477295

O=C(O)C(Cl)CCCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
GPR84 Q9NQS5 3/20 0.35
RNPEP Q9H4A4 1/20 0.35
FFAR1 O14842 1/20 0.35
DDAH1 O94760 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
NOS2 P35228 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GSR P00390 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FOLH1 Q04609 1/20 0.31

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
SCHEMBL658157 1.00 TBXAS1 (0.46) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL27413119 1.00 TBXAS1 (0.46) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL1034278 1.00 TBXAS1 (0.46) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL11753554 1.00 TBXAS1 (0.46) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL2207820 1.00 TBXAS1 (0.46) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL9679760 0.98 TBXAS1 (0.45) TBXAS1GPR84RNPEPFFAR1DDAH1
Hydrochloric Acid SCHEMBL11771270 0.98 TBXAS1 (0.47) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL11693016 0.98 TBXAS1 (0.43) TBXAS1GPR84RNPEPFFAR1DDAH1
SCHEMBL1706453 0.90
SCHEMBL7753637 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113429386-A Synthetic method of R-lipoic acid 苏州富士莱医药股份有限公司 2021-09-24 CN disclosed
CN-109790111-B Method for producing dihydrolipoic acid 澳泽化学特罗斯特贝格有限公司 2021-08-31 CN disclosed
CN-113185494-A Preparation method of R-lipoic acid 苏州富士莱医药股份有限公司 2021-07-30 CN disclosed
US-20190276396-A1 PROCESS FOR THE PRODUCTION OF DIHYDROLIPOIC ACID ALZCHEM TROSTBERG GMBH (DE) 2019-09-12 US disclosed
US-20070015926-A1 Method of preparing R-(+)-alpha-lipoic acid and its salt NANJING RALLY BIOCHEMICAL INC. 2007-01-18 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 (2 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-20190276396-A1 PROCESS FOR THE PRODUCTION OF DIHYDROLIPOIC ACID LIPA, COASY, FDFT1 TBXAS1 580/4885GPR84 2462/4885RNPEP 1151/4885
US-20070015926-A1 Method of preparing R-(+)-alpha-lipoic acid and its salt RALA, LIPA, DHCR7 TBXAS1 3498/4885GPR84 4677/4885RNPEP 1519/4885

“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.