SCHEMBL4675418

SCHEMBL4675418

CCC(=O)OC(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
PPARA Q07869 5/20 0.35
PPARG P37231 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 1/20 0.32
KCNH2 Q12809 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
MRGPRX2 Q96LB1 1/20 0.30
CHRM3 P20309 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL23292877 0.81 ALDH1A1 (0.48) FFAR3PPARAPPARGALDH1A1TSHR
SCHEMBL28476402 0.78 ALOX15 (0.33) ALDH1A1NAAA
SCHEMBL6312350 0.78 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL25946603 0.78 PPARA (0.33) PPARAPPARGALDH1A1TSHRCYP2D6
SCHEMBL9305699 0.78 PPARA (0.35) PPARAPPARGALDH1A1TSHRCYP2D6
SCHEMBL6313196 0.78 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL28938779 0.78 FFAR3 (0.35) FFAR3PPARAPPARGALDH1A1TSHR
SCHEMBL6312664 0.78 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL7815186 0.78 PPARA (0.33) PPARAPPARGALDH1A1TSHRCYP2D6
SCHEMBL25946794 0.78 TRPA1 (0.41) PPARAPPARGALDH1A1TSHRCYP2D6

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-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-114127042-A Process for producing alpha-acyloxycarboxylic acid ester 三菱瓦斯化学株式会社 2022-03-01 CN disclosed
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
CN-112334568-A Isobutyrate compounds having propionyloxy group at alpha position, fragrance compositions and use as fragrance 三菱瓦斯化学株式会社 2021-02-05 CN disclosed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN 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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO FFAR3 2514/4885PPARA 1950/4885PPARG 1319/4885

“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.