SCHEMBL3563799

SCHEMBL3563799

COC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.79
RAB9A P51151 9/20 0.75
NPC1 O15118 8/20 0.75
HSP90AA1 P07900 3/20 0.75
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.62
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 3/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL16763420 0.88 KMT2A (1.00) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL1756442 0.86 POLB (0.73) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL16763369 0.85 KMT2A (0.72) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL16763229 0.84 KMT2A (0.70) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL3561578 0.83 RAB9A (0.79) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL6815343 0.83 RAB9A (0.79) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL19313566 0.83 KMT2A (0.69) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL9630876 0.82 RAB9A (0.77) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL6815031 0.81 KMT2A (0.66) KMT2ARAB9ANPC1HSP90AA1L3MBTL1
SCHEMBL864179 0.81 RAB9A (0.74) KMT2ARAB9ANPC1HSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE AG 2004-12-30 US 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 (3 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-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator GYS2, GYS1, PYGL KMT2A 3431/4885RAB9A 4007/4885NPC1 1101/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 KMT2A 3429/4885RAB9A 4229/4885NPC1 1670/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 KMT2A 3429/4885RAB9A 4229/4885NPC1 1670/4885

“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.