SCHEMBL2837205

SCHEMBL2837205

c1ccc(COc2ccc(-n3ccc4c(OCc5ccccc5)cccc43)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.57
MCHR1 Q99705 7/20 0.46
KCNH2 Q12809 5/20 0.45
MAOB P27338 3/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL30234345 0.89 ROCK1 (0.57) ROCK1LMNAMAPTL3MBTL1MAPK1
SCHEMBL23883404 0.89 ROCK1 (0.57) ROCK1LMNAMAPTL3MBTL1MAPK1
SCHEMBL1014598 0.82 ROCK1 (0.53) ROCK1MAPTL3MBTL1MAPK1TDP1
SCHEMBL1014339 0.80 FFAR4 (0.56) ROCK1MAOBLMNASLC6A2SLC6A3
SCHEMBL28901193 0.80 ROCK1 (0.65) ROCK1BCHEMAPTL3MBTL1MAPK1
SCHEMBL20337899 0.79 ROCK1 (0.55) ROCK1MAPTL3MBTL1MAPK1TDP1
SCHEMBL31454955 0.77 ROCK1 (0.62) ROCK1SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL30335520 0.76 ROCK1 (0.44) ROCK1MCHR1LMNAMAPTL3MBTL1
SCHEMBL23883437 0.76 ROCK1 (0.44) ROCK1MCHR1LMNAMAPTL3MBTL1
SCHEMBL769005 0.76 RHEB (0.55) ROCK1MAPTL3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009617-A3 METHODS, STORAGE MEDIUMS, AND SYSTEMS FOR ANALYZING PARTICLE QUANTITY AND DISTRIBUTION WITHIN AN IMAGING REGION OF AN ASSAY ANALYSIS SYSTEM AND FOR EVALUATING THE PERFORMANCE OF A FOCUSING ROUTING PERFORMED ON AN ASSAY ANALYSIS SYSTEM LUMINEX CORPORATION (US) 2012-05-10 WO disclosed
EP-2271617-B1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LTD (GB) 2011-11-30 EP disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 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-20100324106-A1 COMPOUNDS ESR2, GPER1, ESR1 ROCK1 1875/4885MCHR1 537/4885KCNH2 3181/4885

“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.