SCHEMBL2431867

SCHEMBL2431867

CCOc1ccc(OC2CCCC2)c2[nH]cc(-c3ccc(OC)cc3)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.37
PDE4D Q08499 9/20 0.37
PDE4A P27815 9/20 0.37
PDE4C Q08493 8/20 0.37
PDE3A Q14432 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
PDE7A Q13946 1/20 0.36
IDO1 P14902 2/20 0.36
TTK P33981 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL2430197 0.91 PDE4A (0.40) PDE4BPDE4DPDE4APDE4CIDO1
SCHEMBL2432859 0.87 ADORA3 (0.43) ADORA3IDO1
SCHEMBL2433379 0.86 PDE4D (0.38) PDE4BPDE4DPDE4APDE4CIDO1
SCHEMBL1136283 0.85 KDR (0.38) PDE4BPDE4DPDE4APDE4CIDO1
SCHEMBL1136272 0.85 IDO1 (0.37) PDE4BPDE4DPDE4APDE4CIDO1
SCHEMBL2430280 0.84 ADORA3 (0.42) ADORA3IDO1
SCHEMBL15198840 0.79 TSHR (0.39) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL1136007 0.78 ADORA3 (0.40) ADORA3IDO1
SCHEMBL2523334 0.77 PDE4A (0.41) PDE4BPDE4DPDE4APDE4CIDO1
SCHEMBL2430302 0.76 ALDH1A1 (0.46) IDO1

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
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 PDE4B 272/4885PDE4D 542/4885PDE4A 301/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 PDE4B 272/4885PDE4D 542/4885PDE4A 301/4885

“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.