SCHEMBL831256

SCHEMBL831256

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
PPARA Q07869 2/20 0.55
LTB4R Q15722 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SERPINE1 P05121 1/20 0.53
ALB P02768 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL93219 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4832130 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL28536387 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4612581 0.98 MAPT (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4656215 0.94 DRD2 (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL3032142 0.89 MAPT (0.61) MAPTL3MBTL1CRHBPCRHR2DRD2
SCHEMBL10554981 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL9570561 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL10556391 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL5390369 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 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-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-20020065389-A1 Polyhydroxyalkanoate containing 3-hydroxythienylalkanoic acid as monomer unit and method for producing the same CANON KABUSHIKI KAISHA (JP) 2002-05-30 US disclosed
EP-1196545-A1 ELECTRON DONOR SYSTEM FOR ENZYMES AND ITS USE FOR THE BIOCHEMICAL CONVERSION OF SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2002-04-17 EP disclosed
EP-1188782-A2 Polyhydroxyalkanoate and manufacturing method thereof CANON KABUSHIKI KAISHA (JP) 2002-03-20 EP disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
US-20010029039-A1 Polyhydroxyalkanoates and method of producing them by utilizing mircroorganisms CANON KABUSHIKI KAISHA (JP) 2001-10-11 US disclosed
EP-1130042-A2 Polyhydroxyalkanoate containing 3-hydroxybenzoylalkanoic acid as monomer unit, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2001-09-05 EP disclosed
EP-1130043-A2 Polyhydroxylalkanoate containing 3-hydroxythienylalkanoic acid as monomer unit and method for producing the same CANON KABUSHIKI KAISHA (JP) 2001-09-05 EP disclosed
EP-1118629-A2 Polyhydroxyalkanoates and method of producing them by utilizing microorganisms CANON KABUSHIKI KAISHA (JP) 2001-07-25 EP disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP disclosed
WO-2001007573-A1 ELECTRON DONOR SYSTEM FOR ENZYMES AND ITS USE FOR THE BIOCHEMICAL CONVERSION OF SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2001-02-01 WO 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-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM MAPT 1973/4885L3MBTL1 2730/4885HRH3 348/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM MAPT 1973/4885L3MBTL1 2730/4885HRH3 348/4885

“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.