SCHEMBL4466041

SCHEMBL4466041

Cn1c(OCc2ccccc2)ccc(Cc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
MAPK14 Q16539 5/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP1A2 P05177 4/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 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
SCHEMBL3525163 0.79 PKM (0.50) PKMMAOBMAOAMAPK14PDE3B
SCHEMBL4469266 0.78 ALDH1A1 (0.45) PKMMAOBMAOACYP1A2ALDH1A1
SCHEMBL4477507 0.77 MAOB (0.49) PKMMAOBMAOAMAPK14ALDH1A1
SCHEMBL11545651 0.68 PDE3B (0.52) PDE3BPDE3AALDH1A1LMNA
SCHEMBL2464221 0.66 MAPK14 (0.48) PKMMAOBMAOAMAPK14MAPK1
SCHEMBL11831603 0.66 PDE3B (0.40) PDE3BPDE3AALDH1A1LMNA
SCHEMBL14505636 0.65 PKM (0.58) PKMMAOBMAOACYP1A2ALDH1A1
SCHEMBL2462795 0.65 MAPK14 (0.50) PKMMAOBMAOAMAPK14CYP1A2
SCHEMBL10601013 0.64 DRD2 (0.69) MAOBMAOACYP1A2ALDH1A1TSHR
SCHEMBL3520905 0.64 CCNB2 (0.51) PKMMAOBMAOACYP1A2ALDH1A1

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
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 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 (4 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 PKM 543/4885MAOB 743/4885MAOA 1401/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 PKM 1683/4885MAOB 1959/4885MAOA 1885/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 PKM 451/4885MAOB 560/4885MAOA 980/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 PKM 991/4885MAOB 725/4885MAOA 1125/4885

“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.