SCHEMBL4214130

SCHEMBL4214130

COC(=O)c1ccc(-c2ccc(C)cc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
CYP46A1 Q9Y6A2 1/20 0.48
HDAC1 Q13547 3/20 0.44
KDM1A O60341 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DYRK1A Q13627 1/20 0.44
CTSA P10619 1/20 0.43
PDE10A Q9Y233 1/20 0.43
GCGR P47871 2/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
DHODH Q02127 1/20 0.42
ALPL P05186 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MET P08581 2/20 0.39
HPGD P15428 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
SCHEMBL4218916 0.82 CYP4F2 (0.49) MAPK1DYRK1APDE10AALPLMET
SCHEMBL18914426 0.78 MAPK1 (0.47) MAPK1CYP46A1DYRK1APDE10AALPL
SCHEMBL13680499 0.77 MAPK1 (0.51) MAPK1DYRK1AEGLN1KDM4EL3MBTL1
SCHEMBL82621 0.77 MAPK1 (0.67) MAPK1DYRK1APDE10AKDM4EL3MBTL1
SCHEMBL29565067 0.77 MAPK1 (0.67) MAPK1DYRK1APDE10AKDM4EL3MBTL1
SCHEMBL18848887 0.77 PDE3B (0.53) HDAC6CTSAPDGFRB
SCHEMBL8258906 0.77 MAPK1 (0.54) MAPK1DYRK1AKDM4EL3MBTL1HPGD
SCHEMBL20862077 0.75 GCGR (0.40) HDAC1KDM1AHDAC6CTSAGCGR
SCHEMBL38655111 0.75 MAPK1 (0.49) MAPK1DYRK1AKDM4EL3MBTL1HPGD
SCHEMBL28773890 0.75 CTSA (0.43) HDAC1KDM1AHDAC6CTSADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
EP-1917240-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-05-07 EP disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO 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-20090221547-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, ICOSLG MAPK1 1125/4885CYP46A1 1400/4885HDAC1 2194/4885

“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.