SCHEMBL976168

SCHEMBL976168

NCCCCCCN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(CCCCCCN)Cc2ccccc2B(O)O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
ACHE P22303 5/20 0.37
BCHE P06276 4/20 0.33
CXCR4 P61073 1/20 0.33
MEN1 O00255 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
KMT2A Q03164 1/20 0.33
MC4R P32245 3/20 0.32
MC5R P33032 3/20 0.32
MC3R P41968 3/20 0.32
TLR8 Q9NR97 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 0.87 ACHE (0.34) LIPGACHEBCHEMC4RMC5R
SCHEMBL21191985 0.87 ACHE (0.34) LIPGACHEBCHEMC4RMC5R
SCHEMBL974905 0.85 ACHE (0.37) ACHEBCHEMEN1KMT2AMC4R
SCHEMBL21191986 0.81 ACHE (0.31) ACHE
SCHEMBL6834459 0.80 LIPG (0.37) LIPGACHEBCHEKMT2A
SCHEMBL12922751 0.78 ZDHHC20 (0.42)
SCHEMBL17013846 0.76 CYP2D6 (0.47) ACHEMEN1KMT2AMC4RMC5R
SCHEMBL17013844 0.75 ALDH1A1 (0.47) LIPGBCHEKMT2A
SCHEMBL7269820 0.74 APP (0.35) LIPG
SCHEMBL29951980 0.74 LIPG (0.56) LIPGACHEBCHEMEN1KMT2A

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 8 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
EP-1619229-B1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO CORP (JP) 2007-04-11 EP 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 LIPG 3863/4885ACHE 2236/4885BCHE 1517/4885
US-20060020182-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 LIPG 3709/4885ACHE 2139/4885BCHE 1578/4885
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 LIPG 3709/4885ACHE 2139/4885BCHE 1578/4885

“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.