SCHEMBL2219581

SCHEMBL2219581

COC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14008682 0.84 TSHR (0.46) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL475682 0.84 ALDH1A1 (0.51) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL10845666 0.82 TSHR (0.48) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL1615758 0.81 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL2219648 0.81 CYP1A2 (0.46) TSHRALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL9852007 0.79 TSHR (0.41) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL9512578 0.78 TSHR (0.40) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL17281804 0.78 TSHR (0.40) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL29191943 0.78 TSHR (0.40) TSHRRECQLALDH1A1L3MBTL1KMT2A
SCHEMBL15443091 0.77 LMNA (0.44) TSHRALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
CN-115825299-B Purity analysis method of 1-methyl-3, 4, 5-trinitropyrazole 中北大学 2024-09-24 CN claimed
US-20230330136-A1 BLOOD-BRAIN BARRIER-PENETRATING NANOTHERANOSTICS FOR ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES AND THE LIKE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-19 US claimed
EP-4204019-A1 BLOOD-BRAIN BARRIER-PENETRATING NANOTHERANOSTICS FOR ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES AND THE LIKE The Governing Council of the University of Toronto (CA) 2023-07-05 EP claimed
CN-114133306-B CL-20 and 3,4-MDNP supermolecular explosive and preparation method thereof 中国工程物理研究院化工材料研究所 2023-05-02 CN claimed
CN-115825299-A Purity analysis method of 1-methyl-3, 4, 5-trinitropyrazole 中北大学 2023-03-21 CN claimed
CN-115146131-B Method for screening target active natural product and application thereof 中国农业科学院蜜蜂研究所 2022-11-18 CN claimed
CN-115146131-A Method for screening target active natural product and application thereof 中国农业科学院蜜蜂研究所 2022-10-04 CN claimed
WO-2022067430-A1 BLOOD-BRAIN BARRIER-PENETRATING NANOTHERANOSTICS FOR ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES AND THE LIKE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-04-07 WO claimed
CN-114133306-A CL-20 and 3,4-MDNP supramolecular explosive and preparation method thereof 中国工程物理研究院化工材料研究所 2022-03-04 CN claimed
CN-114031473-A CL-20 and 3,5-MDNP supramolecular explosive and preparation method thereof 中国工程物理研究院化工材料研究所 2022-02-11 CN claimed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP claimed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US disclosed
CN-117487030-B Maltodextrin nanoparticle and preparation method and application thereof 重庆医科大学 2026-02-27 CN disclosed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO disclosed
US-6610977-B2 Security system for NBC-safe building LOCKHEED MARTIN CORPORATION 2003-08-26 US disclosed
US-4561862-A Use of selected beta-nitroalkenes as cetane number boosters for diesel fuel OLIN CORPORATION (US) 1985-12-31 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-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 TSHR 3452/4885RECQL 369/4885ALDH1A1 4406/4885

“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.