SCHEMBL4318907

SCHEMBL4318907

CC(C)(C)C(c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1C=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.70
PDE10A Q9Y233 3/20 0.49
CYSLTR1 Q9Y271 5/20 0.49
CYSLTR2 Q9NS75 4/20 0.49
GPBAR1 Q8TDU6 4/20 0.48
ALOX5 P09917 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP1A2 P05177 3/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4310979 0.90 ALOX5AP (0.58) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL4313120 0.85 ALOX5AP (0.84) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4315018 0.83 ALOX5AP (0.66) ALOX5APPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL13669030 0.79 ALOX5AP (0.54) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL4556998 0.78 ALOX5AP (1.00) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL8260654 0.78 PDE10A (0.60) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4318215 0.78 ALOX5AP (0.53) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL4307367 0.78 ALOX5AP (0.72) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL4320849 0.78 ALOX5AP (0.74) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4320856 0.78 ALOX5AP (0.74) ALOX5APPDE10ACYSLTR1CYSLTR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 ALOX5AP 17/4885PDE10A 1927/4885CYSLTR1 9/4885

“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.