SCHEMBL391765

SCHEMBL391765

CC(=O)CC(=O)OCC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
DGKA P23743 1/20 0.45
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
FAAH O00519 4/20 0.43
PRKCA P17252 2/20 0.33
CNR2 P34972 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
USP2 O75604 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
SCHEMBL10445133 1.00 KDM4E (0.53) KDM4EDUSP3MEN1KMT2ALMNA
Glycerin SCHEMBL29177525 0.98 LMNA (0.51) KDM4EDUSP3MEN1KMT2ALMNA
Acetoacetic Acid SCHEMBL9008264 0.93 KDM4E (0.47) KDM4EDUSP3MEN1KMT2ALMNA
Acetoacetic Acid SCHEMBL1560961 0.93 KDM4E (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9110406 0.89 MGAM (0.50) KDM4EDUSP3MEN1KMT2ALMNA
Acrylic Acid SCHEMBL28069660 0.88 LMNA (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL840262 0.87 LMNA (0.55) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL16167891 0.84 MEN1 (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL12199637 0.83 LMNA (0.53) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL16350387 0.83 MGAM (0.44) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008015-B Process for the preparation of polyhydric alcohol esters of hydroxycarboxylic acids, in particular polyglycerol esters 凯托利皮克斯治疗有限责任公司 2024-02-20 CN claimed
US-11890264-B2 Migraine prevention and treatment UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2024-02-06 US claimed
CN-113966323-B Method for producing ketocarboxylic acid polyol-based esters 凯托利皮克斯治疗有限责任公司 2023-11-28 CN claimed
EP-3558280-B1 MIGRAINE PREVENTION AND TREATMENT UNIV KINDERSPITAL BEIDER BASEL (CH) 2023-06-07 EP claimed
CN-110087642-B Prevention and treatment of migraine 贝德尔巴塞尔大学儿童医院 2022-12-27 CN claimed
CN-114008015-A Process for preparing polyol esters of hydroxycarboxylic acids, in particular polyglycerol esters IOI油脂化学品有限责任公司 2022-02-01 CN claimed
CN-113966323-A Method for producing ketocarboxylic acid polyol ester IOI油脂化学品有限责任公司 2022-01-21 CN claimed
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT UNIVERSITATS-KINDERSPITAL BEIDER BASEL (CH) 2021-11-04 US claimed
CN-111148512-A Delivery pharmaceutical composition comprising a penetration enhancer 阿奎斯蒂弗医疗股份有限公司 2020-05-12 CN claimed
CN-110087642-A The prevention and treatment of migraine 贝德尔巴塞尔大学儿童医院 2019-08-02 CN claimed
US-20110178032-A1 Monoglyceride of Acetoacetate and Derivatives for the Treatment of Neurological Disorders ACCERA, INC. (US) 2011-07-21 US claimed
EP-2303036-A1 MONOGLYCERIDE OF ACETOACETATE AND DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Accera, Inc. (US) 2011-04-06 EP claimed
WO-2010003114-A1 MONOGLYCERIDE OF ACETOACETATE AND DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NEUERA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-5519161-A Nutritive glycerol esters of β-acyloxy butyrates BIRKHAHN RONALD H (US) 1996-05-21 US claimed
WO-1995009145-A1 NUTRITIVE GLYCEROL ESTERS OF β-ACYLOXY BUTYRATES EASTMAN CHEMICAL COMPANY (US) 1995-04-06 WO claimed
WO-1995009144-A1 NUTRITIVE WATER SOLUBLE GLYCEROL ESTERS OF HYDROXY BUTYRIC ACID EASTMAN CHEMICAL COMPANY (US) 1995-04-06 WO claimed
EP-0348664-A2 Pharmaceutical compositions containing monoacetoacetins for treating tumours OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-01-03 EP claimed
US-4701443-A PARENTAL ADMINISTERING BAXTER TRAVENOL LABORATORIES, INC. (US) 1987-10-20 US claimed
EP-0139677-A1 NUTRIENT POLYESTERS BAXTER TRAVENOL LABORATORIES, INC. (US) 1985-05-08 EP claimed
WO-1984003626-A1 NUTRIENT POLYESTERS BAXTER TRAVENOL LAB (US) 1984-09-27 WO 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 (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-20110178032-A1 Monoglyceride of Acetoacetate and Derivatives for the Treatment of Neurological Disorders FAHD1, ACAT1, ACADM KDM4E 3010/4885DUSP3 3904/4885MEN1 1615/4885
US-20210338618-A1 MIGRAINE PREVENTION AND TREATMENT ACACA, ACACB, HBB KDM4E 2872/4885DUSP3 2924/4885MEN1 572/4885
US-11890264-B2 Migraine prevention and treatment ACACA, ACACB, HBB KDM4E 2872/4885DUSP3 2924/4885MEN1 572/4885

“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.