SCHEMBL15969817

SCHEMBL15969817

CCOC(=O)C[C@H](CC(=O)O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.53
CACNB3 P54284 1/20 0.53
CACNA1C Q13936 1/20 0.53
PGR P06401 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
CACNA2D2 Q9NY47 1/20 0.53
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 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
SCHEMBL3291696 1.00 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3291702 1.00 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL234997 0.92 MGAM (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4888997 0.86 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4890230 0.85 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27539220 0.85 MGAM (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27544215 0.84 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL21589071 0.84 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27857355 0.84 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4329152 0.84 CACNA2D1 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20140243412-A1 PROCESS FOR PREPARATION OF PREGABALIN DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-28 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 (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-20140243412-A1 PROCESS FOR PREPARATION OF PREGABALIN MCCC2, GABRA6, HRH1 CACNA2D1 206/4885CACNB3 168/4885CACNA1C 101/4885

“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.