SCHEMBL923680

SCHEMBL923680

O=Cc1ccc(OC2CCOC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.43
PDE4A P27815 9/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 9/20 0.42
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL28371304 0.92 SYK (0.45) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL28372154 0.88 ALDH1A1 (0.41) PDE4BMEN1ALDH1A1POLBHPGD
SCHEMBL7143854 0.83 PDE4D (0.60) PDE4DPDE4APDE4BPDE4C
SCHEMBL923906 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL28372157 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL28376693 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL497697 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL497696 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL498305 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL28737022 0.82 ATXN2 (0.47) PDE4DPDE4APDE4BPDE4C

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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 PDE4D 707/4885PDE4A 399/4885PDE4B 680/4885

“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.