SCHEMBL12922751

SCHEMBL12922751

C=CC(=O)NCCCCCCN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(CCCCCCNC(=O)C=C)Cc2ccccc2B(O)O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
TGM2 P21980 7/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
APP P05067 3/20 0.38
CD274 Q9NZQ7 1/20 0.36
EGFR P00533 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL7269820 0.82 APP (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5674048 0.79 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15305621 0.78 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL976168 0.78 LIPG (0.40)
SCHEMBL13068305 0.78 GAA (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5673653 0.77 NAAA (0.39) DRD2DRD3
SCHEMBL20346322 0.76 APP (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1506800 0.76 APP (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5673675 0.75 APP (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20320676 0.74 TMEM97 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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 10 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-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-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-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-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-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

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-20080319288-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 ZDHHC20 2297/4885ZDHHC2 3105/4885TGM2 1730/4885
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 ZDHHC20 2045/4885ZDHHC2 2881/4885TGM2 1715/4885

“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.