SCHEMBL4042286

SCHEMBL4042286

Cc1oc(-c2ccco2)nc1COc1ccc(COc2ncccc2CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
PPARA Q07869 14/20 0.44
PPARG P37231 14/20 0.44
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4031542 0.89 FFAR1 (0.43) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4034601 0.88 FFAR1 (0.52) FFAR1PPARAPPARGADORA3ADORA2A
SCHEMBL4028802 0.87 FFAR1 (0.64) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4035460 0.86 FFAR1 (0.63) FFAR1PPARAPPARGTP53MAPT
SCHEMBL5403573 0.86 FFAR1 (0.58) FFAR1PPARAPPARGMAPT
Water SCHEMBL4035926 0.86 FFAR1 (0.62) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4035434 0.85 KDM4E (0.40) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4031957 0.83 FFAR1 (0.55) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4030719 0.83 FFAR1 (0.42) FFAR1PPARAPPARGTP53MAPT
SCHEMBL4034756 0.81 KDM4E (0.43) FFAR1PPARAPPARGTP53MAPT

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK FFAR1 4/4885PPARA 156/4885PPARG 593/4885

“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.