SCHEMBL2219648

SCHEMBL2219648

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 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
SCHEMBL11374230 0.85 ALDH1A1 (0.45) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL1615758 0.85 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL15658198 0.84 ALDH1A1 (0.46) ALDH1A1MAPTTSHRTDP1LMNA
SCHEMBL15655791 0.82 NAAA (0.51) ALDH1A1TSHRTDP1
SCHEMBL15656444 0.82 NAAA (0.51) ALDH1A1TSHRTDP1
SCHEMBL15656443 0.82 NAAA (0.51) ALDH1A1TSHRTDP1
SCHEMBL2219581 0.81 TSHR (0.48) ALDH1A1MAPTKDM4EKMT2ATSHR
SCHEMBL15442113 0.80 GSTP1 (0.41) ALDH1A1MAPTPOLBTSHRL3MBTL1
SCHEMBL10845789 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL28323659 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1TRPA1GAAMGAM

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 24 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
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
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US disclosed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US disclosed
US-20220290962-A1 SYSTEMS AND METHODS FOR SIMULATING BLAST EFFECTS OF AN EXPLOSIVE LAYER 3 SERVICES PTY LTD (AU) 2022-09-15 US disclosed
WO-2022153314-A1 A PROCESS FOR BLASTING TAMAR ISRAELI ADVANCED QUARRYING CO. LTD (IL) 2022-07-21 WO disclosed
EP-3228624-A2 REDOX-ACTIVE CHROMOPHORE MOLECULES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2017-10-11 EP disclosed
US-9309274-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-04-12 US disclosed
US-20110177964-A1 CHEMOSENSORY ARRAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-07-21 US disclosed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP disclosed
US-20070258147-A1 Redox-active structures and devices utilizing the same YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 2007-11-08 US 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-5524545-A Process and apparatus for photolytic degradation of explosives GLOBAL ENVIRONMENTAL SOLUTIONS, INC. (US) 1996-06-11 US disclosed
US-5516970-A Process and apparatus for photolytic degradation of explosives GLOBAL ENVIRONMENTAL SOLUTIONS, INC. (US) 1996-05-14 US disclosed
US-5370845-A Dissolving explosives in organic solvents, irradiating with ultraviolet light ALLIANT TECHSYSTEMS (US) 1994-12-06 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 (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-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 CYP1A2 4710/4885ALDH1A1 4406/4885TRPA1 91/4885
US-20070258147-A1 Redox-active structures and devices utilizing the same GPX4, GPX1, LPO CYP1A2 1121/4885ALDH1A1 233/4885TRPA1 1503/4885

“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.