SCHEMBL4880767

SCHEMBL4880767

COC(=O)CC(CC(=O)OC)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNB3 P54284 1/20 0.43
CACNA1C Q13936 1/20 0.43
PGR P06401 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CACNA2D2 Q9NY47 1/20 0.43
TSHR P16473 4/20 0.42
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MME P08473 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL664788 0.92 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL665175 0.92 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4194017 0.92 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1419512 0.90 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5003775 0.90 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1419510 0.90 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8141648 0.87 CACNA2D1 (0.62) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4336387 0.87 CACNA2D1 (0.62) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4336389 0.87 CACNA2D1 (0.62) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL14108565 0.86 CACNA2D1 (0.60) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483317-B Preparation method and application of 3-isobutyl dimethyl glutarate 黄冈鲁班药业股份有限公司 2022-08-30 CN claimed
CN-110483317-A The preparation method and application of high-purity 3- isobutylglutaric acid dimethyl ester HUANGGANG LUBAN PHARMACEUTICAL CO LTD 2019-11-22 CN claimed
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO claimed
CN-113564144-B Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2025-04-04 CN disclosed
CN-118956817-A Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2024-11-15 CN disclosed
CN-112048492-B Ester hydrolase mutant 尚科生物医药(上海)有限公司 2023-12-22 CN disclosed
CN-116694694-A Enzyme catalysis process for preparing pregabalin chiral intermediate 尚科生物医药(上海)有限公司 2023-09-05 CN disclosed
CN-110483317-B Preparation method and application of 3-isobutyl dimethyl glutarate 黄冈鲁班药业股份有限公司 2022-08-30 CN disclosed
CN-110483317-B Preparation method and application of 3-isobutyl dimethyl glutarate 黄冈鲁班药业股份有限公司 2022-08-30 CN disclosed
CN-110483317-B Preparation method and application of 3-isobutyl dimethyl glutarate 黄冈鲁班药业股份有限公司 2022-08-30 CN disclosed
CN-113564144-A Lipase mutant and application thereof 上海奥博生物医药技术有限公司 2021-10-29 CN disclosed
CN-112048492-A Ester hydrolase mutant 尚科生物医药(上海)有限公司 2020-12-08 CN disclosed
CN-110483317-A The preparation method and application of high-purity 3- isobutylglutaric acid dimethyl ester HUANGGANG LUBAN PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
CN-110483317-A The preparation method and application of high-purity 3- isobutylglutaric acid dimethyl ester HUANGGANG LUBAN PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
CN-110483317-A The preparation method and application of high-purity 3- isobutylglutaric acid dimethyl ester HUANGGANG LUBAN PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO disclosed
CN-108019740-A A kind of biomass fuel boiler device and its method of work 徐州工程学院 2018-05-11 CN disclosed
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 US disclosed
EP-1992609-A1 A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid Dipharma Francis S.r.l. (IT) 2008-11-19 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-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ADH5, ALDH7A1, ADH1C CACNA2D1 360/4885CACNB3 575/4885CACNA1C 351/4885

“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.