SCHEMBL5017567

SCHEMBL5017567

[C-]#[N+]C(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
APP P05067 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
AAK1 Q2M2I8 1/20 0.30
XBP1 P17861 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11392378 0.79 TDP1 (0.38) KMT2ACA12CA14XBP1TDP1
SCHEMBL526638 0.72 NOS1 (0.40) LMNAKMT2ACA12CA14CA1
SCHEMBL108717 0.72 DGAT1 (0.39) LMNAKMT2ACA12CA14CA1
SCHEMBL14593925 0.72 DGAT1 (0.39) LMNAKMT2ACA12CA14CA1
SCHEMBL1332536 0.70 TP53 (0.38) LMNAKMT2ACA12CA14CA1
SCHEMBL1953733 0.70 TP53 (0.38) LMNAKMT2ACA12CA14CA1
SCHEMBL305050 0.70 TP53 (0.38) LMNAKMT2ACA12CA14CA1
SCHEMBL8651672 0.70 CA12 (0.37) LMNAKMT2ACA12CA14CA1
Hydrogen Peroxide SCHEMBL22069989 0.70 CA12 (0.37) LMNAKMT2ACA12CA14CA1
SCHEMBL2962998 0.70 CA14 (0.41) LMNAKMT2ACA12CA14CA1

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
EP-1651200-B1 GALLOYLPEPTIDES ASTELLAS PHARMA INC (JP) 2008-12-24 EP disclosed
US-7273951-B2 Polyhydroxy phenols and their use in binding p-selectin ASTELLAS PHARMA INC. (JP) 2007-09-25 US disclosed
US-20060276545-A1 Polyhydroxy phenols and their use in binding p-selectin YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1651200-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN Astellas Pharma Inc. (JP) 2006-05-03 EP disclosed
WO-2004105740-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN ASTELLAS PHARMA INC. (JP) 2004-12-09 WO 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 (1 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-20060276545-A1 Polyhydroxy phenols and their use in binding p-selectin SELP, SELPLG, SELE LMNA 2763/4885KMT2A 3733/4885CA12 2669/4885

“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.