SCHEMBL6179752

SCHEMBL6179752

CSc1ccc(CC(=O)C(C)(C)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.40
SLC6A4 P31645 6/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9791592 0.79 CA2 (0.54) KDM4ELMNA
SCHEMBL6180303 0.78 HPGD (0.33) KDM4EKMT2AMAOALMNASIGMAR1
SCHEMBL6182221 0.77 RXRA (0.39) EPHX2NR1H4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6608122 0.76 EPHX2 (0.44) EPHX2NR1H4HTTTSHRSLC6A4
SCHEMBL7558091 0.76 CES1 (0.61) EPHX2HTTTSHRMEN1KMT2A
SCHEMBL2398565 0.76 POLB (0.48) EPHX2NR1H4TSHRSLC6A4KDM4E
SCHEMBL46640 0.76 CA2 (0.56) HTTTSHRSLC6A4KDM4EMEN1
SCHEMBL29045766 0.76 NR1H4 (0.37) EPHX2NR1H4KDM4EMEN1KMT2A
SCHEMBL2407621 0.75 SMN1; SMN2 (0.46) EPHX2NR1H4TSHRSLC6A4KDM4E
SCHEMBL3490695 0.75 CA2 (0.57) SLC6A4MAOASLC6A2SLC6A3

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-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
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 EPHX2 2220/4885NR1H4 993/4885HTT 4468/4885

“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.