SCHEMBL2580993

SCHEMBL2580993

CC(C)(C)OC(=O)N(CCC(=O)O)CCN(CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.49
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.37
HDAC3 O15379 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 1/20 0.35
TSHR P16473 1/20 0.33
DGAT1 O75907 1/20 0.33
SSTR4 P31391 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32

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
SCHEMBL2499626 0.98 CA14 (0.50) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL12901425 0.92 CA14 (0.58) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL5788917 0.91 CA14 (0.49) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL17987028 0.91 CA14 (0.45) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL20089215 0.91 CA14 (0.45) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL18597221 0.89 ALDH1A1 (0.49) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL22852725 0.89 CA14 (0.43) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL18285886 0.88 CA14 (0.43) CA14ALDH1A1ALDH2HDAC1HDAC2
SCHEMBL20262970 0.86 CA14 (0.51) CA14ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL25248565 0.86 CA14 (0.42) CA14ALDH1A1ALDH2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699491-B1 BRANCHED POLYETHYLENE GLYCOL FOR LINKING POLYMER RESIDUES TO ANTIBODIES UCB PHARMA SA (BE) 2011-11-16 EP disclosed
US-7736635-B2 Branched molecular scaffolds for linking polymer residues to biologically active moieties UCB PHARMA S.A. (BE) 2010-06-15 US disclosed
US-20070128150-A1 Branched molecular scaffolds for linking polymer residues to biologically active moieties UCB BIOPHARMA SPRL (BE) 2007-06-07 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-20070128150-A1 Branched molecular scaffolds for linking polymer residues to biologically active moieties ILK, ECPAS, FGB CA14 1343/4885ALDH1A1 3642/4885ALDH2 2912/4885

“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.