SCHEMBL221749

SCHEMBL221749

CC(=O)OC/C=C/COC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 2/20 0.46
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40

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
SCHEMBL271027 1.00 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL74779 1.00 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL14296530 0.92 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL31508640 0.92 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL7077137 0.89
SCHEMBL4740509 0.89
SCHEMBL11048389 0.89
SCHEMBL9997862 0.89
SCHEMBL14000225 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15CHRM5
SCHEMBL2166062 0.89

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 1004 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2024186647-A1 METHODS FOR CONVERTING POLYVINYL CHLORIDE TO SMALLER MOLECULES USING OLEFIN CROSS METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-12 WO claimed
CN-115466177-B Method for preparing 1, 4-diacetoxy-2-butene 中国科学院大连化学物理研究所 2024-02-02 CN claimed
EP-3515885-B1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2023-12-13 EP claimed
CN-115957782-A Catalyst for synthesizing 1, 4-diacetoxy-2-butene and preparation method and application thereof 中国石油化工股份有限公司 2023-04-14 CN claimed
CN-115959990-A Synthesis method of 1, 4-diacetyloxy-2-butene 中国石油化工股份有限公司 2023-04-14 CN claimed
CN-115466177-A Method for preparing 1, 4-diacetyloxy-2-butene 中国科学院大连化学物理研究所 2022-12-13 CN claimed
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN claimed
CN-107473965-B Preparation method of 3, 4-diacetyloxy-1-butene 广州巨元生化有限公司 2020-10-13 CN claimed
US-10774035-B2 Preparation of amino acids and amino acid derivatives UMICORE AG & CO. KG (DE) 2020-09-15 US claimed
US-4225727-A FROM CONJUGATED DIENE, CARBOXY ACID AND OXYGEN, CATALYST OF PALLADIUM, TELLURIUM, GERMANIUM, LEAD, TIN TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1980-09-30 US claimed
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US claimed
US-4180676-A Conversion of conjugated diolefins to diacyloxy olefins PHILLIPS PETROLEUM COMPANY (US) 1979-12-25 US claimed
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US claimed
US-4164616-A FROM THE CONJUGATED DIENE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US claimed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US claimed
US-4117242-A MONOAMINE TO SUPRESS HYDROGENOLYSIS PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US claimed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
US-3997623-A POLYHYDRIC ESTER-ALUMINUM HALIDE CATALYST LION FAT & OIL CO., LTD. (JA) 1976-12-14 US claimed
US-3952071-A ALUMINUM HALIDE-POLYHYDRIC ALCOHOL DERIVATIVE CATALYST LION FAT & OIL CO., LTD. (JA) 1976-04-20 US claimed

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-10774035-B2 Preparation of amino acids and amino acid derivatives AADAT, BCAT1, BCAT2 ALDH1A1 911/4885LMNA 3915/4885HSD17B10 3186/4885

“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.