SCHEMBL16277299

SCHEMBL16277299

CC(C)(C)OC(=O)/C=C/C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DGAT1 O75907 1/20 0.32
ESR1 P03372 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
SCHEMBL16277300 1.00 HCAR2 (0.35) HCAR2KEAP1NFE2L2DGAT1ESR1
SCHEMBL43764 0.85 HCAR2 (0.45) HCAR2KEAP1NFE2L2DGAT1
SCHEMBL43004 0.85 HCAR2 (0.45) HCAR2KEAP1NFE2L2DGAT1
SCHEMBL375029 0.85 HCAR2 (0.45) HCAR2KEAP1NFE2L2DGAT1
SCHEMBL19008840 0.83 HCAR2 (0.39) HCAR2KEAP1NFE2L2DGAT1ESR1
SCHEMBL7871608 0.82 TSHR (0.41) HCAR2DGAT1
SCHEMBL11283926 0.80 DGAT1 (0.37) HCAR2KEAP1NFE2L2DGAT1ESR1
SCHEMBL8740156 0.77 TSHR (0.35) HCAR2KEAP1NFE2L2DGAT1ESR1
SCHEMBL8740152 0.77 TSHR (0.35) HCAR2KEAP1NFE2L2DGAT1ESR1
SCHEMBL3878185 0.76 HCAR2 (0.38) HCAR2KEAP1NFE2L2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 EP claimed
EP-3004047-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF Anthem Biosciences Pvt Ltd (IN) 2016-04-13 EP claimed
WO-2014195896-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT. LTD. (IN) 2014-12-11 WO claimed
US-20140364613-A1 COMPOUNDS OF 3-(5-SUSTITUTED OXY-2, 4-DINITROPHENYL)-2-OXO-PROPIONIC ACID ESTER, SYNTHESIS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT.LTD (IN) 2014-12-11 US claimed
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 EP disclosed
EP-3004047-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF Anthem Biosciences Pvt Ltd (IN) 2016-04-13 EP disclosed
US-9115128-B2 Compounds of 3-(5-substituted Oxy-2, 4-dinitrophenyl)-2-oxo-propionic acid ester, synthesis and applications thereof ANTHEM BIOSCIENCES PVT. LTD. (IN) 2015-08-25 US disclosed
US-20140364613-A1 COMPOUNDS OF 3-(5-SUSTITUTED OXY-2, 4-DINITROPHENYL)-2-OXO-PROPIONIC ACID ESTER, SYNTHESIS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT.LTD (IN) 2014-12-11 US disclosed
WO-2014195896-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT. LTD. (IN) 2014-12-11 WO 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-20140364613-A1 COMPOUNDS OF 3-(5-SUSTITUTED OXY-2, 4-DINITROPHENYL)-2-OXO-PROPIONIC ACID ESTER, SYNTHESIS AND APPLICATIONS THEREOF SDHA, SDHB, SQOR HCAR2 2007/4885KEAP1 437/4885NFE2L2 256/4885

“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.