SCHEMBL6180303

SCHEMBL6180303

CC(C)(O)C(=O)Cc1ccc(SC2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CES1 P23141 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
PTPRZ1 P23471 1/20 0.31
LMNA P02545 1/20 0.31
GRIK1 P39086 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP26A1 O43174 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL12593796 0.80 POLB (0.42) DDB1CRBNSIGMAR1MAOAMAOB
SCHEMBL6603627 0.80 LNPEP (0.33) DDB1CRBNMAOAMAOBLNPEP
SCHEMBL6179752 0.78 EPHX2 (0.45) SIGMAR1KDM4EMAOALMNAKMT2A
SCHEMBL1107504 0.78 CA2 (0.48) HPGDKDM4EL3MBTL1LMNACYP26A1
SCHEMBL16950092 0.74 LMNA (0.48) KDM4ELMNACYP19A1KMT2A
SCHEMBL2669170 0.73 NPY5R (0.37) HPGDKDM4ELMNA
SCHEMBL2651655 0.72 CA2 (0.46) HPGDKDM4EMAOAMAOBLMNA
SCHEMBL9791592 0.72 CA2 (0.54) KDM4ELMNA
SCHEMBL6181601 0.71 DDIT3 (0.37) LMNA
SCHEMBL6182221 0.71 RXRA (0.39) HPGDKDM4EL3MBTL1CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B HPGD 821/4885DDB1 2413/4885CRBN 2540/4885

“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.