SCHEMBL5353289

SCHEMBL5353289

CCOC(=O)CC(=O)CC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
MCL1 Q07820 3/20 0.42
KDM4E B2RXH2 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL70685 0.82
SCHEMBL11781367 0.81 FAAH (0.53) GAAMCL1ALDH1A1HPGDTSHR
SCHEMBL5353921 0.80 MCL1 (0.44) GAAMGAMSIMGAM2MCL1
SCHEMBL6750259 0.80
Ammonia Solution, Strong SCHEMBL8823685 0.80
Hydrochloric Acid SCHEMBL25408509 0.80
SCHEMBL3370470 0.80
SCHEMBL28807956 0.80 MGAM (0.50) GAAMGAMSIMGAM2MCL1
SCHEMBL5395125 0.80 GAA (0.52) GAAMGAMSIMGAM2KDM4E
SCHEMBL155563 0.79 GAA (0.78) GAAMGAMSIMGAM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651424-B Synthesis method of 7-protecting group-4- (1-hydrogen-pyrazol-4-yl) pyrrole [2,3-d ] pyrimidine 新发药业有限公司 2021-01-22 CN claimed
CN-121758322-A New synthesis process of (R) - (-) -4-cyano-3-hydroxybutyric acid ethyl ester 福建永晶科技股份有限公司 2026-03-31 CN disclosed
CN-117700337-A Preparation method of high-purity ethyl 2-cyano acetoacetate 安徽金禾化学材料研究所有限公司 2024-03-15 CN disclosed
CN-111909137-B Pyridazinone derivative and application thereof 深圳微芯生物科技股份有限公司 2023-05-30 CN disclosed
CN-114437034-A Pharmaceutical salt and crystal form of phthalazine compound and preparation method thereof 深圳微芯生物科技股份有限公司 2022-05-06 CN disclosed
CN-114437042-A Crystal form of phthalazine compound and preparation method thereof 深圳微芯生物科技股份有限公司 2022-05-06 CN disclosed
CN-109651424-B Synthesis method of 7-protecting group-4- (1-hydrogen-pyrazol-4-yl) pyrrole [2,3-d ] pyrimidine 新发药业有限公司 2021-01-22 CN disclosed
WO-2020228577-A1 PYRIDAZINONE DERIVATIVE AND USE THEREOF 深圳微芯生物科技股份有限公司 2020-11-19 WO disclosed
CN-111909137-A Pyridazinone derivative and application thereof 深圳微芯生物科技股份有限公司 2020-11-10 CN disclosed
US-7172894-B2 Reductase gene and use of the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-02-06 US disclosed
EP-1201647-B1 Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate SUMITOMO CHEMICAL CO (JP) 2004-09-22 EP disclosed
US-20040171119-A1 Reductase gene and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-09-02 US disclosed
EP-1452588-A1 Reductase gene and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-01 EP disclosed
US-6781009-B2 BY REACTING A 4-HALO-3-OXOBUTANOATE WITH AN ALKALINE METAL CYANIDE IN METHANOL; PRODUCING 4-CYANO-3-HYDROXYBUTANOATE THEREFROM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-24 US disclosed
US-20030105347-A1 Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1201647-A2 Process for producing 4-cyano-4oxobutanoate and 4-cyano-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-4133827-A Process for the production of α-cyano-γ-haloacetoacetic compounds LONZA LTD. (CH) 1979-01-09 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-20030105347-A1 Method for producing 4-cyano-3-oxobutanoate and 4-ctano-3-hydroxybutanoate HADHB, HAO2, HAAO GAA 715/4885MGAM 64/4885SI 616/4885

“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.