SCHEMBL5339520

SCHEMBL5339520

CC(=O)OCCC(C=O)COC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL12289245 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL13292115 0.82 TDP1 (0.38) ALOX15ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL29038542 0.79 ALDH1A1 (0.42) ALOX15ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL28238277 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TSHRUSP2CYP3A4
SCHEMBL11860001 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TSHRUSP2CYP3A4
SCHEMBL11854133 0.77 ALDH1A1 (0.50) ALOX15ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL11193956 0.76 TDP1 (0.37) ALOX15ALDH1A1SMN1; SMN2TDP1USP2
SCHEMBL7262925 0.75 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL4095428 0.73 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL7595042 0.73 MGAM (0.35) ALDH1A1SMN1; SMN2TSHRTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113233979-B Preparation method of 4-acetoxyl-2-methyl-2-butenal 上虞新和成生物化工有限公司 2022-05-17 CN claimed
CN-118684579-A Method for preparing 2-methyl-4-acetoxyl-2-butenal by one-step method 浙江芳原馨生物医药有限公司 2024-09-24 CN disclosed
CN-111484409-B Preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2023-05-05 CN disclosed
CN-115007218-A Catalyst for olefin hydroformylation reaction and preparation method and application thereof 山东新和成药业有限公司 2022-09-06 CN disclosed
CN-110734374-B Preparation method of high-yield 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2022-07-01 CN disclosed
CN-113233979-B Preparation method of 4-acetoxyl-2-methyl-2-butenal 上虞新和成生物化工有限公司 2022-05-17 CN disclosed
CN-110734376-B Preparation method of 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2022-04-01 CN disclosed
CN-111484409-A Low-cost preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2020-08-04 CN disclosed
CN-110734374-A preparation method of 2-methyl-4-acetoxyl-2-butenal with high yield 新发药业有限公司 2020-01-31 CN disclosed
CN-110734376-A Preparation method of 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2020-01-31 CN disclosed
US-7288672-B2 Process for preparation of esters of hydroxy tiglic Aldehydes COUNCIL OF SCIENTIFIC & INDUSTRIUAL RESEARCH (IN) 2007-10-30 US disclosed
US-20050215814-A1 Process for preparation of esters of hydroxy tiglic aldehydes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-09-29 US disclosed
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
US-4124619-A Preparation of esters of hydroxy tiglic aldehyde HOFFMANN-LA ROCHE INC. (US) 1978-11-07 US disclosed
US-4124619-A Preparation of esters of hydroxy tiglic aldehyde HOFFMANN-LA ROCHE INC. (US) 1978-11-07 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-20050215814-A1 Process for preparation of esters of hydroxy tiglic aldehydes TTPA, ADH4, ADH1B ALOX15 939/4885ALDH1A1 39/4885SMN1; SMN2 4696/4885

“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.