SCHEMBL555342

SCHEMBL555342

CC(C(=O)OCC(=O)OCC(=O)OCCOC(=O)COC(=O)COC(=O)C(C)c1ccc2cc(OC(=O)CCCCCO[N+](=O)[O-])ccc2c1)c1ccc2cc(OC(=O)CCCCCO[N+](=O)[O-])ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.42
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL10121468 0.97 PTGS2 (0.40) PTGS2PTGS1ROCK2ROCK1MTNR1A
SCHEMBL12135489 0.95 PTGS2 (0.38) PTGS2PTGS1ROCK2ROCK1TDP1
SCHEMBL12135490 0.94 PTGS2 (0.41) PTGS2PTGS1ROCK2ROCK1MTNR1A
SCHEMBL2870177 0.94 ROCK2 (0.40) PTGS2PTGS1ROCK2ROCK1MTNR1A
SCHEMBL10121568 0.93 PTGS2 (0.42) PTGS2PTGS1ROCK2ROCK1MTNR1A
SCHEMBL555105 0.89 PTGS2 (0.41) PTGS2PTGS1MTNR1AMTNR1BTDP1
SCHEMBL10121473 0.89 PTGS2 (0.39) PTGS2PTGS1ROCK2ROCK1TDP1
SCHEMBL12135562 0.89 PTGS2 (0.39) PTGS2PTGS1ROCK2ROCK1MTNR1A
SCHEMBL12135318 0.89 PTGS2 (0.40) PTGS2PTGS1MTNR1AMTNR1BTDP1
SCHEMBL10121542 0.89 PTGS2 (0.41) PTGS2PTGS1MTNR1AMTNR1BTDP1

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
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 59/4885PTGS1 27/4885ROCK2 1160/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGS2 59/4885PTGS1 27/4885ROCK2 1160/4885

“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.