SCHEMBL12953545

SCHEMBL12953545

Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
PDE4D Q08499 4/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 2/20 0.42
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PHKG2 P15735 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
PRKCI P41743 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKCD Q05655 1/20 0.40
MAP4K2 Q12851 1/20 0.40
STK3 Q13188 1/20 0.40

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
SCHEMBL12952665 0.99 SCN8A (0.43) PDE4BPDE4DPDE4APDE4CSCN8A
SCHEMBL12952904 0.99 SCN8A (0.43) PDE4BPDE4DPDE4APDE4CSCN8A
SCHEMBL6208005 0.83 TACR1 (0.41) PDE4DSCN8ASCN10ASLC6A4KCNH2
SCHEMBL12953108 0.82 NTRK1 (0.38) PDE4BPDE4DJAK2ROCK2PRKD3
SCHEMBL12953551 0.79 SCN8A (0.40) PDE4BPDE4DPDE4APDE4CSCN8A
SCHEMBL12952965 0.79 NFE2L2 (0.40) SCN8ASCN10AJAK2ROCK2PRKD3
SCHEMBL13581198 0.78 SCN5A (0.34) JAK2ROCK2PRKD3PRKCGPHKG2
SCHEMBL12952722 0.78 SCN8A (0.42) PDE4BPDE4DPDE4APDE4CSCN8A
SCHEMBL12953364 0.78 SCN8A (0.42) PDE4BPDE4DPDE4APDE4CSCN8A
SCHEMBL12952721 0.78 NFE2L2 (0.42) JAK2ROCK2PRKD3PRKCGPHKG2

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 PDE4B 4660/4885PDE4D 4701/4885PDE4A 4554/4885

“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.