SCHEMBL1922429

SCHEMBL1922429

CCCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1922430 0.94 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10TSHRCYP3A4
SCHEMBL18098051 0.92 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10
SCHEMBL17636285 0.91 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRCYP3A4
SCHEMBL17636252 0.88 LMNA (0.40) ALDH1A1LMNAHSD17B10TSHRCYP3A4
SCHEMBL2220993 0.84 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL6857994 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10
SCHEMBL14607672 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL8277381 0.82 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL715313 0.77 ALDH1A1 (0.54) ALDH1A1
SCHEMBL16541056 0.77 ALDH1A1 (0.54) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590560-A Polyol nitrate and rehabilitation treatment application thereof to cardiovascular and cerebrovascular diseases 江西三艾曲生物科技有限公司 2019-12-20 CN claimed
US-9023890-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2015-05-05 US claimed
CN-110590560-A Polyol nitrate and rehabilitation treatment application thereof to cardiovascular and cerebrovascular diseases 江西三艾曲生物科技有限公司 2019-12-20 CN disclosed
US-9452117-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2016-09-27 US disclosed
US-9452117-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2016-09-27 US disclosed
US-9452117-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2016-09-27 US disclosed
EP-2329862-B1 Nitrate esters and their use for the treatment of muscle and muscle related diseases CHARLOTTE MECKLENBURG HOSPITAL (US) 2016-03-30 EP disclosed
US-9023890-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2015-05-05 US disclosed
US-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER (US) 2012-12-06 US disclosed
US-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER (US) 2012-12-06 US disclosed
EP-2529734-A1 Nitrate esters and their use for the treatment of muscle and muscle related diseases The Charlotte-Mecklenburg Hospital Authority (US) 2012-12-05 EP disclosed
EP-2329862-A1 Nitrate esters and their use for the treatment of muscle and muscle related diseases The Charlotte-Mecklenburg Hospital Authority (US) 2011-06-08 EP disclosed
US-20110130455-A1 Nitrate Esters and Their Use For The Treatment of Muscle and Muscle Related Diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER 2011-06-02 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-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases TNNC1, TNNI3, TNNT2 ALDH1A1 1718/4885LMNA 568/4885HSD17B10 125/4885
US-20110130455-A1 Nitrate Esters and Their Use For The Treatment of Muscle and Muscle Related Diseases TNNC1, TNNI3, TNNT2 ALDH1A1 1657/4885LMNA 613/4885HSD17B10 108/4885

“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.