SCHEMBL554850

SCHEMBL554850

COc1ccc2cc(C(C)C(=O)OCC(=O)O)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.68
AKR1C3 P42330 6/20 0.68
AKR1C2 P52895 6/20 0.68
PTGS1 P23219 3/20 0.68
TSHR P16473 2/20 0.68
CDC42 P60953 1/20 0.68
RAC1 P63000 1/20 0.68
CYP1A2 P05177 1/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL219682 1.00 PTGS2 (0.68) PTGS2AKR1C3AKR1C2PTGS1TSHR
Trifluoroacetic Acid SCHEMBL4694835 0.92 PTGS2 (0.59) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL16300323 0.86 TDP1 (0.64) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL2604922 0.86 TDP1 (0.64) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL506523 0.85 TDP1 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL3280876 0.85 TDP1 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL31619540 0.85 TDP1 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL13063821 0.85 TDP1 (0.71) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL219646 0.85 AKR1C3 (0.56) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL9653179 0.85 TDP1 (0.63) PTGS2AKR1C3AKR1C2PTGS1TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 US disclosed
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 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
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
EP-0331471-B1 HIGH MOLECULAR WEIGHT PRODRUG DERIVATIVES OF ANTIINFLAMMATORY DRUGS Larsen, Claus Selch (DK) 1992-12-16 EP disclosed
WO-1989008119-A1 HIGH MOLECULAR WEIGHT PRODRUG DERIVATIVES OF ANTI-INFLAMMATORY DRUGS SELCH LARSEN CLAUS (DK) 1989-09-08 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 (3 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 59/4885AKR1C3 314/4885AKR1C2 333/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885AKR1C3 314/4885AKR1C2 333/4885
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES SI, MGAM, BPHL PTGS2 674/4885AKR1C3 1189/4885AKR1C2 966/4885

“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.