SCHEMBL13311531

SCHEMBL13311531

CC(=O)CCC(=O)NCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX2 P34913 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.46
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
SLC15A2 Q16348 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
SCHEMBL25083688 0.82 ALDH1A1 (0.46) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL7094098 0.82 CYP2D6 (0.56) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL7426956 0.82 CYP2D6 (0.50) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL2418182 0.81 CYP2D6 (0.54) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL10136021 0.81 ALDH1A1 (0.40) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL23729797 0.81 HPGD (0.44) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL25029529 0.81 EPHX2 (0.48) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL743998 0.80 CYP2D6 (0.48) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL13669328 0.80 CYP2D6 (0.48) CYP2D6CYP2C19EPHX2HPGDALDH1A1
SCHEMBL20111770 0.79 ALDH1A1 (0.39) CYP2D6CYP2C19EPHX2HPGDALDH1A1

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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 CYP2D6 1044/4885CYP2C19 1040/4885EPHX2 967/4885

“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.