SCHEMBL1013397

SCHEMBL1013397

Cc1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 1/20 0.48
EDNRA P25101 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
LIPE Q05469 1/20 0.44
SRD5A2 P31213 1/20 0.44
LTA4H P09960 1/20 0.43
PLA2G2A P14555 1/20 0.43
TRPM8 Q7Z2W7 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
SCHEMBL28374945 0.86 HTR2A (0.63) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28167742 0.85 HTR2A (0.62) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL3052285 0.82 HTR2A (0.59) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28030157 0.81 HTR2A (0.58) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL7281699 0.80 HTR2A (0.45) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL23805297 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11068196 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11263785 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL7366247 0.79 HTR2A (0.77) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28833050 0.79 HTR2A (0.56) HTR2AMAPTMAPK1TDP1L3MBTL1

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 6 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
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
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 HTR2A 109/4885MAPT 2004/4885MAPK1 3172/4885

“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.