SCHEMBL16329232

SCHEMBL16329232

CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.48
NAAA Q02083 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.42
EPHX2 P34913 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL16353764 1.00 CASP2 (0.48) CASP2NAAAMEN1KMT2ATHRB
SCHEMBL15223809 0.98 CASP2 (0.50) CASP2NAAAMEN1KMT2ATHRB
SCHEMBL14685606 0.93 CASP2 (0.43) CASP2NAAAMEN1KMT2ATHRB
SCHEMBL10048529 0.92 CASP2 (0.55) CASP2NAAAMEN1KMT2ATSHR
SCHEMBL30594273 0.89 NAAA (0.51) CASP2NAAAMEN1KMT2ATHRB
SCHEMBL10580612 0.89 NAAA (0.51) CASP2NAAAMEN1KMT2ATHRB
SCHEMBL13644566 0.89 CASP2 (0.52) CASP2NAAAMEN1KMT2ATSHR
SCHEMBL11915802 0.89 CASP2 (0.52) CASP2NAAAMEN1KMT2ATSHR
SCHEMBL27142729 0.89 CASP2 (0.52) CASP2NAAAMEN1KMT2ATSHR
SCHEMBL25887649 0.89 CASP2 (0.52) CASP2NAAAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 US disclosed
US-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 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 (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-20130052130-A1 Branched Discreet PEG Constructs BTD, DNPEP, IDUA CASP2 3612/4885NAAA 535/4885MEN1 3511/4885

“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.