SCHEMBL555507

SCHEMBL555507

CC(C(=O)OCC(=O)OCCCCBr)c1ccc2cc(O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
PTGS1 P23219 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 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
SCHEMBL10121526 0.88 PTGS2 (0.39) PTGS2TDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL555637 0.88 TDP1 (0.44) PTGS2TDP1L3MBTL1CYP2C9HSD17B10
SCHEMBL554679 0.87 TDP1 (0.55) PTGS2TDP1L3MBTL1CYP2C9AKR1C3
SCHEMBL10144561 0.86 PTGS2 (0.38) PTGS2TDP1L3MBTL1CYP2C9HSD17B10
SCHEMBL555824 0.84 PTGS2 (0.43) PTGS2TDP1L3MBTL1PTGS1
SCHEMBL4266625 0.81 TDP1 (0.48) PTGS2TDP1L3MBTL1CYP2C9HSD17B10
SCHEMBL554978 0.80 PTGS2 (0.41) PTGS2TDP1L3MBTL1CYP2C9MTNR1A
SCHEMBL554406 0.79 KDM4E (0.44) PTGS2TDP1L3MBTL1CYP2C9HSD17B10
SCHEMBL554712 0.79 CYP2C9 (0.48) PTGS2TDP1L3MBTL1CYP2C9HSD17B10
SCHEMBL1448872 0.78 PTGS2 (0.62) PTGS2TDP1L3MBTL1CYP2C9AKR1C3

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 15 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-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
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-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 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
EP-2398761-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS Bezwada Biomedical, LLC (US) 2011-12-28 EP 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-8062653-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-11-22 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
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 WO disclosed
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 WO 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
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 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 PTGS2 59/4885TDP1 825/4885L3MBTL1 4441/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885TDP1 825/4885L3MBTL1 4441/4885

“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.