SCHEMBL3170955

SCHEMBL3170955

CCOC(=O)CC(=O)CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
MGAM O43451 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 2/20 0.40
SOAT1 P35610 1/20 0.40
FAAH O00519 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL155563 0.87 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28650988 0.84 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2593140 0.83 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9764489 0.83 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28653298 0.82 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL181997 0.82 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL2839042 0.81 GAA (0.88) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6303688 0.81 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4476235 0.81 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20299505 0.81 FAAH (0.48) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118437329-A Catalyst for preparing 2, 7-di-tert-butylpyrene by alkylation of pyrene, preparation method thereof and method for preparing 2, 7-di-tert-butylpyrene from catalyst 北京旭阳科技有限公司 2024-08-06 CN claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
CN-118437329-A Catalyst for preparing 2, 7-di-tert-butylpyrene by alkylation of pyrene, preparation method thereof and method for preparing 2, 7-di-tert-butylpyrene from catalyst 北京旭阳科技有限公司 2024-08-06 CN disclosed
CN-107935912-A A kind of preparation process of Amlodipine intermediate 常州瑞明药业有限公司 2018-04-20 CN disclosed
WO-2015110897-A2 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2015-07-30 WO disclosed
WO-2015038660-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2015-03-19 WO disclosed
EP-1553170-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2012-06-27 EP disclosed
US-20100093817-A1 Compounds BIAL - PORTELA & CA S.A. (PT) 2010-04-15 US disclosed
US-20100093817-A1 Compounds BIAL - PORTELA & CA S.A. (PT) 2010-04-15 US disclosed
US-7649117-B2 Process of preparing optically active β-hydroxycarboxylic acid derivative NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2010-01-19 US disclosed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US disclosed
WO-2000047560-A2 PROCESS FOR THE PREPARATION OF ASYMMETRICAL 1,4-DIHYDRO-PYRIDINE-DICARBOXYLIC ACID ESTERS EGIS Gyógyszergyár Rt. (HU) 2000-08-17 WO disclosed
EP-0967271-A1 NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE KANEKA CORPORATION (JP) 1999-12-29 EP disclosed
EP-0295109-B2 Process for preparing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 1996-09-04 EP disclosed
US-4933482-A HYDROGENATION OF BETA-KETO ACID IN PRESENCE OF RUTHENIUM PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-06-12 US disclosed
EP-0295109-A1 Process for preparing optically active alcohol Takasago International Corporation (JP) 1988-12-14 EP disclosed
EP-0102893-B1 A NOVEL PRODUCTION OF 1-OXACEPHAMS SHIONOGI & CO., LTD. (JP) 1988-07-06 EP disclosed
US-4539148-A OXYGENATED BUTYRIC ACID DERIVATIVES OF OXOAZETIDINE SHIONOGI & CO., LTD. (JP) 1985-09-03 US disclosed
EP-0102893-A1 A novel production of 1-oxacephams SHIONOGI & CO., LTD. (JP) 1984-03-14 EP disclosed
US-4421922-A Process for the production of tetronic acid LONZA LTD. (CH) 1983-12-20 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-20100093817-A1 Compounds TPMT, CYP2C8, ABL1 GAA 720/4885MGAM 4178/4885SI 3120/4885

“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.