SCHEMBL13311642

SCHEMBL13311642

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.44
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
HPGD P15428 6/20 0.43
EPHX1 P07099 1/20 0.41
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL564899 0.83
SCHEMBL10447542 0.83 CYP2D6 (0.62) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL20711338 0.78 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL23730005 0.78 LMNA (0.44) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL17313809 0.76 CYP2D6 (0.61) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL2418182 0.76 CYP2D6 (0.54) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL10604328 0.75 TDP1 (0.47) MMP1MMP8HPGDTDP1SMN1; SMN2
SCHEMBL2604889 0.74 CYP2D6 (0.52) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL17740186 0.74 CYP2D6 (0.52) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL14859908 0.74 CYP2D6 (0.52) CYP2D6CYP2C19RECQLMMP1MMP8

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 1040/4885RECQL 3002/4885

“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.