SCHEMBL9918138

SCHEMBL9918138

CC(C)C1CC([N+](=O)[O-])C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9918139 0.84
SCHEMBL15242573 0.81
SCHEMBL9918136 0.80
SCHEMBL18380614 0.78
SCHEMBL9918137 0.76 NLRP3 (0.33)
SCHEMBL16173997 0.70
SCHEMBL10157574 0.70 GSR (0.48) ALDH1A1
SCHEMBL10157494 0.70 GSR (0.39) ALDH1A1
SCHEMBL10158072 0.70 GSR (0.48) ALDH1A1
SCHEMBL10157528 0.69 GSR (0.38) ALDH1A1

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
US-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products EPICENTRX, INC. (US) 2023-05-30 US disclosed
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
US-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. 2014-10-16 US disclosed
US-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto ORONSKY BRYAN T (US) 2012-06-14 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 (7 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-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products HBB, HBG2, HBZ ALDH1A1 1464/4885
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 ALDH1A1 2681/4885
US-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto NPM1, MCL1, BCL9 ALDH1A1 1564/4885
US-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ ALDH1A1 1464/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 ALDH1A1 2681/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 ALDH1A1 1453/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 ALDH1A1 2447/4885

“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.