SCHEMBL4049476

SCHEMBL4049476

COc1ccc(O)cc1C(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPK1 P28482 3/20 0.64
HSD17B10 Q99714 3/20 0.64
ALOX15 P16050 1/20 0.64
HTT P42858 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
LMNA P02545 7/20 0.62
HPGD P15428 4/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.62
RECQL P46063 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
PGR P06401 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
HRH1 P35367 1/20 0.62
SLC6A3 Q01959 1/20 0.62

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
SCHEMBL7939201 0.87 MAPT (0.64) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL4222291 0.87 MAPT (0.84) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL30785077 0.85 TP53 (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL3964231 0.85 TP53 (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL8751765 0.85 HPGD (0.69) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL9473962 0.83 ALDH1A1 (0.69) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL21483267 0.83 LMNA (0.51) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL30070845 0.83 LMNA (0.51) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL3148110 0.82 MAPT (0.65) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL30785076 0.82 MAPT (0.58) MAPTKDM4EMAPK1HSD17B10ALOX15

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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
EP-1858513-A4 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-06-03 EP disclosed
EP-1858513-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006098912-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-09-21 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B MAPT 4739/4885KDM4E 3254/4885MAPK1 2434/4885

“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.