SCHEMBL10144566

SCHEMBL10144566

O=C(COC(=O)c1ccccc1OC(=O)CCCCCON(O)O)OCCCCON(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
POLM Q9NP87 1/20 0.35
POLK Q9UBT6 1/20 0.35

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
SCHEMBL10145303 0.97 KDM4E (0.41) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL10144567 0.96 KDM4E (0.39) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL12136641 0.91 PTGS2 (0.41) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL10145191 0.91 KDM4E (0.45) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL10145301 0.91 PTGS2 (0.43) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL12136642 0.88 PTGS2 (0.41) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL10144640 0.88 PTGS2 (0.41) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL12136842 0.88 ALDH1A1 (0.42) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL10144636 0.87 PTGS2 (0.56) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL10144624 0.86 KDM4E (0.37) KDM4EKMT2AMEN1RECQLPTGS2

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