SCHEMBL4672818

SCHEMBL4672818

CCOC(=O)C(C)(C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
TSHR P16473 2/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
PKM P14618 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MMP8 P22894 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL23293567 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL4672815 0.82 CYP4F2 (0.44) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL23292898 0.82 CYP4F2 (0.44) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL23581535 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL12121917 0.81 CYP4F2 (0.42) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL23293572 0.80 GAA (0.40) ALDH1A1LMNAHSD17B10GAAKMT2A
SCHEMBL22356277 0.80 ALOX15 (0.52) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL4678703 0.80 CYP4F2 (0.43) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL6620811 0.80 ABCB11 (0.47) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL26247238 0.80 CYP4F2 (0.43) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347033-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117858875-A Hydroxy-and (halo) alkoxy-substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-09 CN disclosed
WO-2022256842-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
US-11326125-B2 Isobutyric ester compound having acetoxy group at alpha-position, fragrance composition, and use thereof as fragrance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-10 US disclosed
US-11326125-B2 Isobutyric ester compound having acetoxy group at alpha-position, fragrance composition, and use thereof as fragrance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-10 US disclosed
US-20210277326-A1 ISOBUTYRIC ESTER COMPOUND HAVING ACETOXY GROUP AT ALPHA-POSITION, FRAGRANCE COMPOSITION, AND USE THEREOF AS FRAGRANCE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 US disclosed
US-20210277326-A1 ISOBUTYRIC ESTER COMPOUND HAVING ACETOXY GROUP AT ALPHA-POSITION, FRAGRANCE COMPOSITION, AND USE THEREOF AS FRAGRANCE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 US disclosed
EP-3816267-A1 ISOBUTYRIC ESTER COMPOUND HAVING ACETOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
CN-112313319-A Isobutyrate compounds having acetoxy group in alpha position, fragrance compositions and use as fragrance 三菱瓦斯化学株式会社 2021-02-02 CN disclosed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 US disclosed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 1340/4885LMNA 2228/4885HSD17B10 945/4885
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 ALDH1A1 506/4885LMNA 3524/4885HSD17B10 845/4885

“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.