SCHEMBL555786

SCHEMBL555786

O=C(CCCCCO[N+](=O)[O-])Oc1ccc(-c2coc3cc(OC(=O)CCCCCO[N+](=O)[O-])ccc3c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 18/20 0.58
MAOA P21397 10/20 0.58
MAOB P27338 10/20 0.58
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10121572 0.95 ALDH2 (0.59) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL554685 0.85 ALDH2 (0.67) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL10145214 0.84 ALDH2 (0.59) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL15110348 0.79 ALDH2 (0.63) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL1929935 0.79 ALDH1A1 (0.64) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL13856756 0.78 MAPT (0.64) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL4265917 0.75 ALDH2 (0.71) ALDH2MAOAMAOBALDH1A1MAPT
SCHEMBL28643838 0.75 MAPT (0.74) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL16161066 0.74 ALDH2 (0.64) ALDH2MAOAMAOB
SCHEMBL14947444 0.74 ALDH1A1 (0.61) ALDH2MAOAMAOBNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 US disclosed
EP-2398761-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS Bezwada Biomedical, LLC (US) 2011-12-28 EP disclosed
US-8062653-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-11-22 US disclosed
US-8062653-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-11-22 US disclosed
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 WO disclosed
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 US disclosed
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 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-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 ALDH2 651/4885MAOA 45/4885MAOB 147/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 ALDH2 651/4885MAOA 45/4885MAOB 147/4885

“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.