SCHEMBL831165

SCHEMBL831165

O=C(CCCCCOc1ccc([N+](=O)[O-])cc1)OCCO

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
LSS P48449 2/20 0.49
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL16261807 0.89 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2HRH3
Ammonia Solution, Strong SCHEMBL27640471 0.88 BCL9 (0.59) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL5467715 0.88 MAPT (0.69) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL6024458 0.86 ALDH1A1 (0.62) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL16245527 0.86 MAPT (0.68) MAPTL3MBTL1CRHBPCRHR2KCNH2
SCHEMBL16261894 0.86 BCL9 (0.64) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL831490 0.84 PTGS2 (0.58) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL18689537 0.84 PTGS2 (0.58) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL28199847 0.84 PTGS2 (0.58) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL829911 0.84 PTGS2 (0.57) MAPTL3MBTL1CRHBPCRHR2ALDH1A1

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 40 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
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
US-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-7691364-B2 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2010-04-06 US disclosed
EP-1937182-A4 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2009-07-15 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-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 MAPT 579/4885L3MBTL1 1631/4885CRHBP 1337/4885

“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.