SCHEMBL117755

SCHEMBL117755

CCOC(=O)C(CC)C(=O)C(=O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
PIN1 Q13526 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL3061368 0.98 ALDH1A1 (0.40) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL28077349 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL663775 0.81 ALDH1A1 (0.46) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL230068 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL717299 0.80 ALDH1A1 (0.40) ALDH1A1TDP1MMP8LMNAHSD17B10
Hydrochloric Acid SCHEMBL9430104 0.79 ALDH1A1 (0.43) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL28054134 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MMP8LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL27830684 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MMP8LMNAHSD17B10
SCHEMBL26658212 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MMP8LMNAHSD17B10
Hydrochloric Acid SCHEMBL27522636 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MMP8LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024061333-A1 KRAS MUTANT PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 甘李药业股份有限公司 2024-03-28 WO claimed
CN-115996696-A Prevention, reduction or improvement of odor of elderly people 弗门尼舍有限公司 2023-04-21 CN claimed
CN-113038928-A Preventing oxidation of flavor and food materials 弗门尼舍有限公司 2021-06-25 CN claimed
CN-112979559-A 2-phenyl pyrimidine formic acid derivative and preparation method and application thereof 沈阳药科大学 2021-06-18 CN claimed
CN-112062723-A Preparation method of thiabendazole intermediate 帕潘纳(北京)科技有限公司 2020-12-11 CN claimed
CN-106748995-B A kind of double 3,2 hydroxy pyrimidine ketones derivant and its preparation method and application 中国工程物理研究院核物理与化学研究所 2019-06-18 CN claimed
CN-107602809-A High-solid content water-based polyurethane dispersion liquid a kind of while based on aminocarboxylate and sulfamate 温州大学 2018-01-19 CN claimed
CN-106748995-A A kind of double 3,2 Hydroxypyridinone analog derivatives and its production and use 中国工程物理研究院核物理与化学研究所 2017-05-31 CN claimed
EP-4561567-A2 INHIBITORS OF PDE11A4 AND METHODS OF USING SAME University of Maryland, Baltimore (US) 2025-06-04 EP disclosed
CN-114174292-B Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2024-06-18 CN disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
WO-2024061333-A1 KRAS MUTANT PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 甘李药业股份有限公司 2024-03-28 WO disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-1894220-A Herbicidal pyrimidines DU PONT (US) 2007-01-10 CN disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 US disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 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 (3 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK ALDH1A1 514/4885TDP1 2164/4885MMP8 2298/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 ALDH1A1 130/4885TDP1 2778/4885MMP8 2240/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 ALDH1A1 135/4885TDP1 3149/4885MMP8 2236/4885

“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.