SCHEMBL10144561

SCHEMBL10144561

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
PTGS1 P23219 2/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL10145283 0.88 TDP1 (0.53) PTGS2TDP1L3MBTL1CYP2C9AKR1C3
SCHEMBL10145285 0.87 TDP1 (0.52) PTGS2TDP1L3MBTL1CYP2C9AKR1C3
SCHEMBL555507 0.86 PTGS2 (0.39) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL10144564 0.86 PTGS2 (0.41) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL555637 0.86 TDP1 (0.44) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL12136841 0.86 MTNR1A (0.36) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL12136870 0.85 PTGS2 (0.40) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL13206420 0.84 PTGS2 (0.39) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL10144559 0.84 PTGS2 (0.39) PTGS2MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL12136836 0.83 PTGS2 (0.39) PTGS2MTNR1AMTNR1BTDP1L3MBTL1

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 5 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-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 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
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 59/4885MTNR1A 508/4885MTNR1B 1095/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885MTNR1A 508/4885MTNR1B 1095/4885

“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.