SCHEMBL16670212

SCHEMBL16670212

CCCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
PAM P19021 2/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 4/20 0.42
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 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
SCHEMBL31678974 0.98 DGKA (0.53) DGKAPAMTSHRMAPTLMNA
SCHEMBL16669978 0.98 DGKA (0.53) DGKAPAMTSHRMAPTLMNA
SCHEMBL8849362 0.85 DGKA (0.53) DGKAPAMTSHRMAPTLMNA
SCHEMBL8848823 0.85 DGKA (0.53) DGKAPAMTSHRMAPTLMNA
SCHEMBL1615758 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15466818 0.81 ALOX5 (0.35) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL8849127 0.79 DGKA (0.38) DGKAPAMTSHRMAPTLMNA
SCHEMBL15654586 0.79 NAAA (0.49) DGKATSHRMAPTDNM1ALDH1A1
SCHEMBL245738 0.78 DGKA (0.61) DGKAPAMTSHRMAPTLMNA
SCHEMBL855142 0.78 DGKA (0.61) DGKAPAMTSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620758-B GAP-based thermoplastic propellant and preparation method thereof 湖北三江航天江河化工科技有限公司 2022-01-18 CN claimed
CN-111620758-A GAP-based thermoplastic propellant and preparation method thereof 湖北三江航天江河化工科技有限公司 2020-09-04 CN claimed
CN-111592436-A Low-vulnerability propellant and preparation method thereof 湖北三江航天江河化工科技有限公司 2020-08-28 CN claimed
CN-120574137-A Synthesis method of 2, 2-dinitropropyl caproate 西安近代化学研究所 2025-09-02 CN disclosed
CN-120574137-A Synthesis method of 2, 2-dinitropropyl caproate 西安近代化学研究所 2025-09-02 CN disclosed
US-9227910-B2 Gem-dinitro ester energetic material using esterification and preparation method thereof AGENCY FOR DEFENCE DEVELOPMENT (KR) 2016-01-05 US disclosed
US-9227910-B2 Gem-dinitro ester energetic material using esterification and preparation method thereof AGENCY FOR DEFENCE DEVELOPMENT (KR) 2016-01-05 US disclosed
US-9227910-B2 Gem-dinitro ester energetic material using esterification and preparation method thereof AGENCY FOR DEFENCE DEVELOPMENT (KR) 2016-01-05 US disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 US disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 US disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 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 (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-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF GMNN, GEMIN5, GEMIN4 DGKA 228/4885PAM 259/4885TSHR 4621/4885

“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.