SCHEMBL4446246

SCHEMBL4446246

Cc1cncc(-c2ccccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
BCL2L1 Q07817 1/20 0.47
KDM1A O60341 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 3/20 0.41
TDO2 P48775 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IKBKB O14920 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NFKB1 P19838 2/20 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
SCHEMBL12104804 0.81 CYP2A6 (0.55) CYP2A6HPGDIDO1KDM4ETDO2
SCHEMBL5684855 0.79 TSHR (0.46) CYP2A6ALDH1A1KDM4ETDO2ESR2
SCHEMBL8674981 0.78 ALDH1A1 (0.56) HPGDHSD17B10ALDH1A1BCL2L1KDM4E
SCHEMBL13778315 0.78 CYP2A6 (0.47) CYP2A6HPGDALDH1A1TDO2KMT2A
SCHEMBL13778292 0.78 CYP11B1 (0.51) CYP2A6TDO2KMT2AMAPTMEN1
SCHEMBL27779502 0.78 HPGD (0.47) HPGDHSD17B10ALDH1A1BCL2L1KDM1A
SCHEMBL27783776 0.78 KDM1A (0.49) CYP2A6HPGDHSD17B10ALDH1A1BCL2L1
SCHEMBL23487641 0.75 CYP2A6 (0.45) CYP2A6TDO2KMT2ACYP11B1CYP11B2
SCHEMBL9910946 0.75 PDGFRB (0.53) CYP2A6HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL16805019 0.75 CHRNB1 (0.45) CYP2A6HPGDALDH1A1KDM4ETDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (2 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A CYP2A6 132/4885HPGD 1332/4885HSD17B10 68/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A CYP2A6 132/4885HPGD 1332/4885HSD17B10 68/4885

“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.