SCHEMBL923906

SCHEMBL923906

COc1cc(C=O)ccc1OC1CCOC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.57
PDE4B Q07343 10/20 0.57
PDE4A P27815 9/20 0.57
PDE4C Q08493 9/20 0.57
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
FDPS P14324 1/20 0.49
TTR P02766 1/20 0.46
AOX1 Q06278 1/20 0.44

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
SCHEMBL28376693 1.00 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL28372157 1.00 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL497697 0.95 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL497696 0.95 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL498305 0.95 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL28373126 0.92 ALDH1A1 (0.58) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL25190677 0.89 ALDH1A1 (0.62) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL30287170 0.89 ALDH1A1 (0.62) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7361245 0.86 ALDH1A1 (0.58) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL13522989 0.84 ALDH1A1 (0.68) PDE4BALDH1A1TSHRFDPSTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981876-B 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2021-10-01 CN disclosed
CN-110981876-A 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2020-04-10 CN 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
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 707/4885PDE4B 680/4885PDE4A 399/4885

“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.