SCHEMBL1728508

SCHEMBL1728508

C=Cc1cc(OC)c2ccn(-c3ccc(OC)c(F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.41
FFAR4 Q5NUL3 1/20 0.38
TUBB1 Q9H4B7 5/20 0.37
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4B Q07343 2/20 0.33
DBH P09172 1/20 0.33
EGFR P00533 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
F10 P00742 1/20 0.31

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
SCHEMBL1013672 0.79 GRM1 (0.41) GRM1FFAR4L3MBTL1LMNAMAPT
SCHEMBL10400222 0.70 BIRC5 (0.47) GRM1FFAR4TUBB1L3MBTL1CYP1A2
SCHEMBL4140155 0.70 TUBB1 (0.62) TUBB1TRPA1LMNANFE2L2MAPK1
SCHEMBL1014388 0.69 GRM1 (0.43) GRM1FFAR4TUBB1L3MBTL1LMNA
SCHEMBL14085797 0.68 TRPA1 (0.43) TRPA1L3MBTL1MAPTMAPK1
SCHEMBL7264816 0.67 EGFR (0.38) GRM1FFAR4TUBB1L3MBTL1LMNA
SCHEMBL1122795 0.66 BRD4 (0.46) GRM1MAPK1F10
SCHEMBL1687375 0.63 TRPA1 (0.61) TUBB1TRPA1L3MBTL1MAPTNFE2L2
SCHEMBL23883999 0.62 FFAR4 (0.52) FFAR4LMNAMAPTCYP1A2RAB9A
SCHEMBL30234615 0.62 FFAR4 (0.52) FFAR4LMNAMAPTCYP1A2RAB9A

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 7 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
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 GRM1 425/4885FFAR4 244/4885TUBB1 1571/4885

“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.