SCHEMBL782974

SCHEMBL782974

CC(C)(C)OC(=O)CN(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
ABCB1 P08183 1/20 0.39
MAPT P10636 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
SCHEMBL782973 0.96 ALDH1A1 (0.47) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL12722685 0.92 CTSL (0.44) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL8543386 0.87 CCR6 (0.47) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL7320141 0.86 CCR6 (0.43) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL29144368 0.86 ALDH1A1 (0.41) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL801192 0.85 CCR6 (0.54) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL13721704 0.85 HDAC3 (0.47) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL3508186 0.85 L3MBTL1 (0.44) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL7294052 0.85 L3MBTL1 (0.44) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL3171215 0.85 ALDH1A1 (0.40) ALDH1A1CCR6PAX8L3MBTL1MAPK1

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-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC ALDH1A1 2055/4885CCR6 2157/4885PAX8 1203/4885

“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.