SCHEMBL22601779

SCHEMBL22601779

CC1=CC(=O)N(c2ccc(C(=O)C(C)C)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDAH1 O94760 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DBH P09172 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
CA9 Q16790 6/20 0.36
CA12 O43570 5/20 0.36
CA1 P00915 4/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL9064941 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1HSP90AA1HPGD
SCHEMBL8442000 0.82 DDAH1 (0.58) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL94147 0.81 MGLL (0.46) MEN1KMT2AHSP90AA1NPSR1TDP1
SCHEMBL20131862 0.78 DDAH1 (0.61) MEN1KMT2AALDH1A1HSP90AA1HPGD
SCHEMBL11251677 0.78 CA9 (0.39) MEN1KMT2AALDH1A1HSP90AA1HPGD
SCHEMBL8443563 0.76 MGLL (0.53) MEN1KMT2AALDH1A1HSP90AA1HTT
SCHEMBL13477928 0.76 KMT2A (0.50) MEN1KMT2AALDH1A1HSP90AA1HPGD
SCHEMBL13477929 0.76 RAB9A (0.51) MEN1KMT2AALDH1A1HSP90AA1HPGD
SCHEMBL8142750 0.76 MGLL (0.57) MEN1KMT2AALDH1A1CACNA1BAPBA1
SCHEMBL9470447 0.75 GLA (0.58) MEN1KMT2AALDH1A1HSP90AA1HPGD

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-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 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-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R MEN1 3523/4885KMT2A 4137/4885ALDH1A1 3434/4885

“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.