SCHEMBL4444245

SCHEMBL4444245

O=C(O)c1cccc(COc2ccc(-c3ccc4c(c3)OCO4)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.58
PTGER4 P35408 1/20 0.56
MCL1 Q07820 2/20 0.53
LTB4R Q15722 2/20 0.45
MAOB P27338 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EDNRB P24530 3/20 0.43
EDNRA P25101 3/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TP53 P04637 1/20 0.42
DHODH Q02127 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL3564550 0.82 MRGPRX4 (0.74) MRGPRX4PTGER4MCL1KCNH2
SCHEMBL4442793 0.80 PTGER4 (0.61) MRGPRX4PTGER4MAOBRAB9ASMN1; SMN2
SCHEMBL4440848 0.79 PTGER4 (0.55) PTGER4MCL1NPC1RAB9ASMN1; SMN2
SCHEMBL11188667 0.76 MRGPRX4 (0.78) MRGPRX4KCNH2
SCHEMBL27703908 0.74 MRGPRX4 (0.74) MRGPRX4KCNH2CYP4F2CYP4A11
SCHEMBL22481085 0.74 MRGPRX4 (1.00) MRGPRX4KCNH2
SCHEMBL22480814 0.73 MRGPRX4 (0.68) MRGPRX4NPC1RAB9AKCNH2
SCHEMBL4444817 0.73 MRGPRX4 (0.64) MRGPRX4MCL1SMN1; SMN2KCNH2
SCHEMBL4442894 0.72 MRGPRX4 (0.59) MRGPRX4KCNH2
SCHEMBL3533575 0.72 PTGER4 (1.00) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US claimed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US claimed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
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
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US 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 MRGPRX4 1701/4885PTGER4 1116/4885MCL1 4723/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MRGPRX4 1701/4885PTGER4 1116/4885MCL1 4723/4885

“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.