SCHEMBL3676008

SCHEMBL3676008

CCCCC(O)CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.50
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3676004 1.00 GPR84 (0.50) GPR84MGAMGAASIMGAM2
SCHEMBL22462113 1.00 GPR84 (0.50) GPR84MGAMGAASIMGAM2
SCHEMBL1242948 0.94 GPR84 (0.58) GPR84MGAMGAASIMGAM2
SCHEMBL12083744 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL22655388 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL7603423 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL7598470 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL2310664 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL7599849 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3
SCHEMBL1269210 0.92 GPR84 (0.61) GPR84FFAR4FFAR1KDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116688981-A Palladium zinc-bismuth oxide catalyst, preparation method and application thereof in beta-hydroxy ester oxidation 万华化学集团股份有限公司 2023-09-05 CN disclosed
EP-3715339-B1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER SHENYANG GOLD JYOUKI TECH CO LTD (CN) 2021-09-29 EP disclosed
US-11028039-B2 Method for preparing a β-hydroxycarboxylic acid ester Shenyang Gold Jyouki Technology Co., Ltd (CN) 2021-06-08 US disclosed
US-20200308093-A1 METHOD FOR PREPARING A β -HYDROXYCARBOXYLIC ACID ESTER Shenyang Gold Jyouki Technology Co., Ltd (CN) 2020-10-01 US disclosed
EP-3715339-A1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER Shenyang Gold Jyouki Technology Co., Ltd (CN) 2020-09-30 EP disclosed
CN-106995391-B 1,1,3,3- tetraalkyl guanidine carbonyl cobalt metal organic ion liquid and its preparation method and application 中国科学院兰州化学物理研究所 2018-12-28 CN disclosed
EP-1616852-B1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO LTD (JP) 2010-08-11 EP disclosed
US-7256305-B2 Process for producing β-hydroxyester DAISO CO., LTD. (JP) 2007-08-14 US disclosed
US-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine DAISO CO., LTD. (JP) 2006-06-08 US disclosed
EP-1616852-A1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-0856510-B1 Optically active ceramides and process for producing the same TAKASAGO PERFUMERY CO LTD (JP) 2002-12-11 EP disclosed
US-5998668-A Optically active compound and process for producing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
EP-0856510-A1 Optically active ceramides and process for producing the same Takasago International Corporation (JP) 1998-08-05 EP disclosed
US-4466870-A REDUCTION OF ARYL HALIDES, CYCLOADDITION, PRODUCTION OF TETRAMESITYLDISILENE NORTH DAKOTA STATE UNIVERSITY DEVELOPMENT FOUNDATION (US) 1984-08-21 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 (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-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine CYP2E1, CBR1, ADH1A GPR84 2091/4885MGAM 2253/4885GAA 3942/4885
US-11028039-B2 Method for preparing a β-hydroxycarboxylic acid ester HAO2, HAAO, MCCC2 GPR84 1654/4885MGAM 237/4885GAA 1302/4885
US-20200308093-A1 METHOD FOR PREPARING A β -HYDROXYCARBOXYLIC ACID ESTER HAO2, HAAO, ADH1A GPR84 1641/4885MGAM 181/4885GAA 1055/4885

“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.