SCHEMBL1014598

SCHEMBL1014598

Fc1cc(-n2ccc3c(OCc4ccccc4)cccc32)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.53
FFAR4 Q5NUL3 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
KDM1A O60341 2/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL1014177 0.90 ROCK1 (0.43) ROCK1FFAR4MRGPRX4S1PR5CYP2C9
SCHEMBL1014339 0.88 FFAR4 (0.56) ROCK1FFAR4MRGPRX4MAPTMAPK1
SCHEMBL13748568 0.88 HTR1A (0.45) ROCK1FFAR4S1PR5L3MBTL1CYP2C9
SCHEMBL23883404 0.87 ROCK1 (0.57) ROCK1FFAR4MAPTMAPK1TDP1
SCHEMBL30234345 0.87 ROCK1 (0.57) ROCK1FFAR4MAPTMAPK1TDP1
SCHEMBL1728482 0.86 S1PR5 (0.39) ROCK1FFAR4MRGPRX4S1PR5MAPT
SCHEMBL2835447 0.83 ROCK1 (0.53) ROCK1FFAR4MRGPRX4MAPTMAPK1
SCHEMBL2837205 0.82 ROCK1 (0.57) ROCK1MAPTMAPK1TDP1L3MBTL1
SCHEMBL1016697 0.81 S1PR5 (0.40) ROCK1MRGPRX4S1PR5PTGER1KDM1A
SCHEMBL1013518 0.81 S1PR5 (0.38) ROCK1MRGPRX4S1PR5PTGER1KDM1A

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 10 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-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
EP-2271617-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS Glaxo Group Limited (GB) 2011-01-12 EP 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

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 1875/4885FFAR4 244/4885MRGPRX4 430/4885

“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.