SCHEMBL4556998

SCHEMBL4556998

CC(C)(C)C(c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 1.00
PDE10A Q9Y233 3/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
ALOX5 P09917 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL13666797 0.87 ALOX5AP (0.77) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4307367 0.84 ALOX5AP (0.72) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4313120 0.79 ALOX5AP (0.84) ALOX5APCYSLTR2CYSLTR1ALOX5PDE4A
SCHEMBL4318907 0.78 ALOX5AP (0.70) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4315092 0.77 ALOX5AP (1.00) ALOX5AP
SCHEMBL4315018 0.76 ALOX5AP (0.66) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4321255 0.73 ALOX5AP (0.57) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4320856 0.72 ALOX5AP (0.74) ALOX5APPDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL4320849 0.72 ALOX5AP (0.74) ALOX5APCYSLTR2CYSLTR1ALOX5PDE4A
SCHEMBL4485743 0.72 ALOX5AP (1.00) ALOX5APALOX5

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 4 patents. 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
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 ALOX5AP 17/4885PDE10A 1927/4885CYSLTR2 12/4885

“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.