SCHEMBL4031957

SCHEMBL4031957

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(COc2ncccc2CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
PPARG P37231 10/20 0.49
PPARA Q07869 10/20 0.49
TP53 P04637 1/20 0.46
MAPT P10636 5/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL4028802 0.92 FFAR1 (0.64) FFAR1PPARGPPARATP53MAPT
SCHEMBL4035460 0.91 FFAR1 (0.63) FFAR1PPARGPPARATP53MAPT
Water SCHEMBL4035926 0.90 FFAR1 (0.62) FFAR1PPARGPPARATP53MAPT
SCHEMBL4035310 0.89 KDR (0.50) FFAR1PPARGPPARATP53MAPT
SCHEMBL4030120 0.85 FFAR1 (0.44) FFAR1PPARGPPARATP53MAPT
SCHEMBL4031561 0.85 PPARG (0.64) FFAR1PPARGPPARA
Lithium Ion SCHEMBL4035454 0.84 FFAR1 (0.59) FFAR1PPARGPPARATP53MAPT
Potassium Ion SCHEMBL4034673 0.84 FFAR1 (0.59) FFAR1PPARGPPARATP53MAPT
SCHEMBL4031428 0.84 FFAR1 (0.59) FFAR1PPARGPPARATP53MAPT
SCHEMBL4042286 0.83 FFAR1 (0.48) FFAR1PPARGPPARATP53MAPT

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 4/4885PPARG 593/4885PPARA 156/4885

“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.