SCHEMBL555481

SCHEMBL555481

O=C(COC(=O)c1ccccc1OC(=O)CCCCCBr)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL10121586 0.87 KDM4E (0.45) HTTKMT2AMEN1KDM4ERECQL
SCHEMBL10121581 0.87 KDM4E (0.45) HTTKMT2AMEN1KDM4ERECQL
SCHEMBL554464 0.87 KDM4E (0.50) HTTKMT2AMEN1KDM4ERECQL
SCHEMBL14997396 0.80 ALDH1A1 (0.54) HTTKMT2AMEN1KDM4ERECQL
SCHEMBL556005 0.80 KDM4E (0.55) HTTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10144567 0.80 KDM4E (0.39) HTTKMT2AMEN1KDM4ERECQL
SCHEMBL24678064 0.79 ALDH1A1 (0.58) HTTKMT2AMEN1ALDH1A1TDP1
SCHEMBL7545592 0.79 ALDH1A1 (0.58) HTTKMT2AMEN1ALDH1A1TDP1
SCHEMBL318699 0.79 ALDH1A1 (0.58) HTTKMT2AMEN1ALDH1A1TDP1
SCHEMBL5386843 0.79 ALDH1A1 (0.58) HTTKMT2AMEN1ALDH1A1TDP1

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 HTT 3229/4885KMT2A 4360/4885MEN1 1770/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 HTT 3229/4885KMT2A 4360/4885MEN1 1770/4885

“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.