SCHEMBL10144567

SCHEMBL10144567

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL10144566 0.96 KDM4E (0.42) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10145303 0.92 KDM4E (0.41) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10144640 0.89 PTGS2 (0.41) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10121581 0.88 KDM4E (0.45) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10121586 0.88 KDM4E (0.45) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL12136641 0.87 PTGS2 (0.41) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10145191 0.87 KDM4E (0.45) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL10145301 0.87 PTGS2 (0.43) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL12136642 0.84 PTGS2 (0.41) KDM4EMEN1RECQLKMT2APTGS2
SCHEMBL12136842 0.84 ALDH1A1 (0.42) KDM4EMEN1RECQLKMT2APTGS2

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 960/4885MEN1 1770/4885RECQL 788/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 KDM4E 960/4885MEN1 1770/4885RECQL 788/4885

“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.