SCHEMBL6289449

SCHEMBL6289449

CC(C)(C)OC(=O)NCCCCCC(=O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CYP3A4 P08684 1/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADRA1A P35348 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
SCHEMBL26101606 0.93 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10042519 0.89 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL6290055 0.88 GAA (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8356396 0.85 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8356482 0.85 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2702010 0.83 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16487196 0.83 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22276615 0.83 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22276602 0.83 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA
SCHEMBL826376 0.83 TDP1 (0.69) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 US disclosed
US-6414122-B1 BIOCHEMICAL CONJUGATION TO PROTEINS, PEPTIDES, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, LIPOSOMES, RADIONUCLIDES, HAPTENS, AND TOXINS PROLINX, INC. 2002-07-02 US disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 TDP1 4278/4885MEN1 182/4885GAA 1509/4885

“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.