SCHEMBL554465

SCHEMBL554465

COC(=O)OC(=O)c1ccccc1OC(=O)CCCCCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLM Q9NP87 2/20 0.43
POLK Q9UBT6 2/20 0.43
POLL Q9UGP5 2/20 0.43
POLH Q9Y253 2/20 0.43
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC1 Q13547 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 2/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
PPARG P37231 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
SCHEMBL13100448 0.84 SLC6A3 (0.59) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL8498857 0.84 SLC6A3 (0.59) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL4182762 0.83 SLC6A3 (0.61) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL12921586 0.82 KDM4E (0.56) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL18803117 0.80 KDM4E (0.57) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL8582948 0.80 SLC6A3 (0.61) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL2525282 0.80 MEN1 (0.65) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL5664646 0.80 MEN1 (0.65) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL7710669 0.80 MEN1 (0.65) KMT2AKDM4EMEN1RECQLSLC6A3
SCHEMBL12921590 0.80 PKM (0.56) KMT2AKDM4EMEN1RECQLSLC6A3

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 6 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
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
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 KMT2A 4360/4885KDM4E 960/4885MEN1 1770/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 KMT2A 4360/4885KDM4E 960/4885MEN1 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.