SCHEMBL24415879

SCHEMBL24415879

CCCC(=O)NCCC(=O)NCCCCCCI

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.69
NAAA Q02083 1/20 0.55
EPHX1 P07099 5/20 0.48
FAAH O00519 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DNM1 Q05193 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL24047858 0.96 CASP2 (0.74) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL24415976 0.87 CASP2 (0.60) CASP2NAAAFAAHALDH1A1DNM1
SCHEMBL25920826 0.86 CASP2 (0.92) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL13019127 0.86 CASP2 (0.92) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14199967 0.86 CASP2 (0.91) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23337627 0.85 CASP2 (0.69) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL7537764 0.84 CASP2 (0.86) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL12738558 0.82 CASP2 (1.00) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL5065624 0.82 CASP2 (1.00) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL10149806 0.82 CASP2 (1.00) CASP2NAAAEPHX1FAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220145292-A1 LIGAND CLUSTERS AND METHODS OF THEIR USE AND PREPARATION DEEP GENOMICS INCORPORATED (CA) 2022-05-12 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-20220145292-A1 LIGAND CLUSTERS AND METHODS OF THEIR USE AND PREPARATION ST6GAL1, FUT5, CXCR2 CASP2 3291/4885NAAA 3775/4885EPHX1 2213/4885

“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.