SCHEMBL10121480

SCHEMBL10121480

CC(OC(=O)CCCCCOCCCCO[N+](=O)[O-])C(=O)Oc1ccc(NC(=O)COC(=O)CO[N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
KLK7 P49862 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 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
SCHEMBL10121479 0.83 ROCK2 (0.39) ATMMAPK1MEN1KMT2AALDH1A1
SCHEMBL10121446 0.77 KMT2A (0.47) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL10121491 0.76 ITGB3 (0.34) ROCK2ROCK1
SCHEMBL10121493 0.75 ITGB3 (0.40) ROCK2ROCK1
SCHEMBL10121486 0.75 ITGB3 (0.41) ROCK2ROCK1
SCHEMBL10121485 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL13624512 0.73 ATM (0.44) ATMMAPK1MEN1KMT2AALDH1A1
SCHEMBL13611347 0.73 ATM (0.44) ATMMAPK1MEN1KMT2AALDH1A1
SCHEMBL10019901 0.71 MAPT (0.51) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL10121460 0.71 PTGS2 (0.58) MAPK1MEN1KMT2AALDH1A1MAPT

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 4 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
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-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 ATM 3401/4885MAPK1 3044/4885MEN1 1770/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 ATM 3401/4885MAPK1 3044/4885MEN1 1770/4885

“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.