SCHEMBL829458

SCHEMBL829458

COC(=O)COC(=O)COc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SYK P43405 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL223169 0.93 PTGS2 (0.57) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL7327250 0.91 PTGS2 (0.55) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4264046 0.91 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13935133 0.91 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL3973631 0.88 PTGS2 (0.53) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13063409 0.87 PTGS2 (0.46) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL3973727 0.87 PTGS2 (0.51) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13056613 0.84 GAA (0.49) CYP2C19MAPTSMN1; SMN2GAANPSR1
SCHEMBL2116437 0.84 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL5132441 0.83 PTGS2 (0.51) PTGS2ALDH1A1CYP2C9CYP2C19MAPT

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 56 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
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-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
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 (1 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-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 PTGS2 1363/4885ALDH1A1 972/4885CYP2C9 1640/4885

“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.