SCHEMBL4317561

SCHEMBL4317561

Fc1cccnc1C#CCOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OGA O60502 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GCK P35557 1/20 0.34
MET P08581 2/20 0.33
P2RX3 P56373 2/20 0.32
PTAFR P25105 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL23729876 0.81 GRM5 (0.43) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL23704078 0.81 GRM5 (0.43) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL30950052 0.79 GRM5 (0.40) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL30740345 0.79 GRM5 (0.46) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL18188279 0.79 KDM4C (0.39) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL18196418 0.79 KDM4C (0.39) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL30896131 0.77 RORC (0.37) GRM5KDM4CL3MBTL1RORCMEN1
SCHEMBL13668897 0.76 KDM4C (0.43) GRM5KDM4CL3MBTL1MEN1KMT2A
SCHEMBL23835071 0.74 KDM4C (0.46) KDM4CL3MBTL1MEN1KMT2ANPC1
SCHEMBL29067795 0.72 KDM4C (0.40) GRM5KDM4CL3MBTL1RORCMEN1

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 5 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 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 (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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 GRM5 1635/4885KDM4C 4439/4885L3MBTL1 1569/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B GRM5 1201/4885KDM4C 3584/4885L3MBTL1 3811/4885

“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.