SCHEMBL4254118

SCHEMBL4254118

COc1ccc(NCC=Cc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.58
PDE4A P27815 6/20 0.58
PDE4B Q07343 6/20 0.58
PDE4C Q08493 6/20 0.58
HDAC1 Q13547 3/20 0.56
PDE5A O76074 5/20 0.54
PDE1A P54750 2/20 0.52
PDE1B Q01064 2/20 0.52
PDE1C Q14123 2/20 0.52
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL4254116 1.00 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CHDAC1
SCHEMBL4267394 0.91 HDAC1 (0.70) PDE4DPDE4APDE4BPDE4CHDAC1
SCHEMBL4267381 0.91 HDAC1 (0.70) PDE4DPDE4APDE4BPDE4CHDAC1
SCHEMBL4256767 0.80 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL4256762 0.80 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL7423277 0.77 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL27627999 0.76 HDAC1 (0.60) PDE4DPDE4APDE4BPDE4CHDAC1
SCHEMBL7340175 0.75 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7334418 0.74 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL4260533 0.72 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 US disclosed
EP-1572203-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
EP-1551795-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-07-13 EP disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004035525-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2004-04-29 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 (2 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 PDE4D 2951/4885PDE4A 2010/4885PDE4B 1989/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 PDE4D 3093/4885PDE4A 2666/4885PDE4B 2862/4885

“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.