SCHEMBL830784

SCHEMBL830784

COC(=O)COC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.75
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL839776 0.94 PTGS2 (0.83) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL3971667 0.90 PTGS2 (0.77) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL13935133 0.86 PTGS2 (0.58) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL4264046 0.86 PTGS2 (0.58) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL656776 0.85 PTGS2 (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL832731 0.84 PTGS2 (0.61) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8485548 0.84 PTGS2 (0.65) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL13056614 0.83 PTGS2 (0.59) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL15997205 0.82 PTGS2 (0.59) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL13056615 0.82 KMT2A (0.61) PTGS2ALDH1A1MAPTPOLBKMT2A

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
US-8802892-B2 Functionalized phenolic compounds and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-08-12 US disclosed
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 US disclosed
EP-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP disclosed
EP-1937182-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES Bezwada Biomedical LLC (US) 2008-07-02 EP disclosed
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
US-20060188547-A1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2006-08-24 US disclosed
US-20060172983-A1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2006-08-03 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-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM COMT, AOX1, UGT1A6 PTGS2 762/4885ALDH1A1 384/4885MAPT 2351/4885
US-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 PTGS2 1363/4885ALDH1A1 972/4885MAPT 579/4885

“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.