SCHEMBL554351

SCHEMBL554351

O=Cc1ccccc1OC(=O)CO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.46
SRC P12931 2/20 0.41
LMNA P02545 4/20 0.41
PTGS2 P35354 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR4 O95977 1/20 0.41
ITGA4 P13612 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
PLA2G1B P04054 1/20 0.40

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
SCHEMBL2762935 0.85 ALDH1A1 (0.47) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2763284 0.83 PTGS2 (0.46) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2762555 0.82 PTGS2 (0.48) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2763243 0.81 PTGS2 (0.47) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL14010506 0.80 PTGS2 (0.46) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15929208 0.79 PTGS2 (0.51) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL554801 0.79 KDM4E (0.55) ALDH1A1HPGDHTTMAPTLMNA
SCHEMBL2762817 0.78 PTGS2 (0.45) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7363630 0.76 ALDH1A1 (0.70) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2763259 0.76 PTGDR2 (0.41) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT

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 10 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-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
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

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 PTGDR2 199/4885ALDH1A1 676/4885HPGD 69/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 PTGDR2 199/4885ALDH1A1 676/4885HPGD 69/4885

“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.