SCHEMBL487344

SCHEMBL487344

CONC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL13324201 1.00 DGAT1 (0.46) DGAT1CA12CA14CA2TDP1
SCHEMBL30511197 0.83 TDP1 (0.37) DGAT1CA12CA14CA2TDP1
SCHEMBL20963156 0.80 MEN1 (0.47) DGAT1CA12CA14CA2TDP1
SCHEMBL24191656 0.79 DGAT1 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL191649 0.79 CA12 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL1927273 0.78 DGAT1 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL29422137 0.77 CA12 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL28026126 0.77 CA12 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL14182678 0.77 MEN1 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL3685404 0.77 MAOA (0.46) DGAT1CA12CA14CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313209-B Herbicidal compounds 先正达农作物保护股份公司 2024-07-26 CN disclosed
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 US disclosed
WO-2024068518-A1 3-HETEROARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO disclosed
US-20240018126-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-01-18 US disclosed
US-11851411-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-12-26 US disclosed
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2023-06-06 US disclosed
US-20230002354-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2023-01-05 US disclosed
US-11542225-B2 Lipids for use in lipid nanoparticle formulations Acuitas Therapeutics, Inc. (CA) 2023-01-03 US disclosed
WO-2022112140-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
US-11319408-B2 Hydrophilic polymer derivative having self-immolative acetal linker and conjugate using same NOF CORPORATION (JP) 2022-05-03 US disclosed
US-8247534-B2 Synthesis of radiofluorinated peptide using microwave activation technology GE HEALTHCARE AS (NO) 2012-08-21 US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
CN-101932565-A Hydroxylated pyrimidyl cyclopentane as the AKT kinases inhibitor GENENTECH INC 2010-12-29 CN disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 US disclosed
US-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY GE HEALTHCARE AS (NO) 2010-01-21 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
CN-1046724-C Pyrazolopyridine compounds, pharmaceutical compositions containing them, processes for their preparation and their use FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
WO-1999041216-A1 SUPPORTS FOR SOLID STATE CHEMICAL REACTIONS AND METHOD OF USE THEREOF CHEMBRIDGE CORPORATION (US) 1999-08-19 WO disclosed
CN-1139928-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 CN disclosed
CN-1043717-A Cephalosporin compound TANABE SEIYAKU CO (JP) 1990-07-11 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 (9 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 DGAT1 1774/4885CA12 4480/4885CA14 4264/4885
US-11851411-B2 Herbicidal compounds DDT, CBR3, GLRX3 DGAT1 762/4885CA12 2531/4885CA14 3039/4885
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain MAPT, FABP7, HTT DGAT1 3065/4885CA12 3479/4885CA14 3823/4885
US-20230002354-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 DGAT1 3517/4885CA12 2640/4885CA14 3013/4885
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B DGAT1 3359/4885CA12 3550/4885CA14 3612/4885
US-20240018126-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 DGAT1 1998/4885CA12 2699/4885CA14 1642/4885
US-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY VIP, QRFPR, GRPR DGAT1 2426/4885CA12 2624/4885CA14 1868/4885
US-12024499-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 DGAT1 3517/4885CA12 2640/4885CA14 3013/4885
US-11542225-B2 Lipids for use in lipid nanoparticle formulations LIPC, LIPA, PHOSPHO1 DGAT1 95/4885CA12 2457/4885CA14 3387/4885

“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.