SCHEMBL974905

SCHEMBL974905

COC(=O)c1ccc2c(CN(CCCCCCN)Cc3ccccc3B(O)O)c3ccccc3c(CN(CCCCCCN)Cc3ccccc3B(O)O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
KIF11 P52732 1/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 1/20 0.34
RXRA P19793 1/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL977348 0.89 ACHE (0.34) ACHEALDH1A1BCHEMC4RMC5R
SCHEMBL21191985 0.89 ACHE (0.34) ACHEALDH1A1BCHEMC4RMC5R
SCHEMBL976168 0.85 LIPG (0.40) ACHETLR8BCHEMC4RMC5R
SCHEMBL21191986 0.83 ACHE (0.31) ACHE
SCHEMBL975690 0.81 KIF11 (0.41) ACHEGPR84KIF11ALDH1A1PARP1
SCHEMBL20081108 0.77 MC4R (0.31) MC4RMC5RMC3R
SCHEMBL20320676 0.73 TMEM97 (0.33) ALDH1A1APPMEN1KMT2A
SCHEMBL12922751 0.72 ZDHHC20 (0.42) APP
SCHEMBL21191987 0.71 ACHE (0.30) ACHE
SCHEMBL976242 0.70 LOXL2 (0.54) GPR84KIF11ALDH1A1PARP1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7873398-B2 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-7524985-B2 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
US-20080319288-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
US-7388110-B2 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-06-17 US disclosed
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-01-24 US disclosed
US-20060020182-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA 2006-01-26 US disclosed
EP-1619229-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2006-01-25 EP 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 (3 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-20080319288-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 ACHE 2236/4885GPR84 1120/4885KIF11 4634/4885
US-20060020182-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 ACHE 2139/4885GPR84 1159/4885KIF11 4648/4885
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 ACHE 2139/4885GPR84 1159/4885KIF11 4648/4885

“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.