SCHEMBL4035008

SCHEMBL4035008

CCCc1oc(-c2ccccc2)nc1COc1ccc(COc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.56
PPARA Q07869 11/20 0.56
VDR P11473 5/20 0.56
PPARD Q03181 5/20 0.56
ESR1 P03372 2/20 0.56
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
RXRA P19793 2/20 0.56
ESR2 Q92731 2/20 0.56
KDR P35968 1/20 0.51
FFAR1 O14842 2/20 0.49
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL4034442 0.92 PPARG (0.58) PPARGPPARAVDRPPARDKDR
SCHEMBL4038606 0.86 FFAR1 (0.49) PPARGPPARAVDRPPARDESR1
SCHEMBL3526019 0.83 KDR (0.73) PPARGPPARAVDRPPARDESR1
SCHEMBL4035110 0.83 KDR (0.67) PPARGPPARAKDRFFAR1
SCHEMBL4391017 0.82 PPARG (0.56) PPARGPPARA
SCHEMBL4034286 0.80 FFAR1 (0.69) PPARGPPARAVDRPPARDESR1
SCHEMBL4030470 0.79 KDR (0.70) PPARGPPARAKDRFFAR1
SCHEMBL4037093 0.79 FFAR1 (0.54) PPARGPPARAVDRPPARDFFAR1
SCHEMBL4034707 0.79 KDR (0.63) PPARGPPARAKDRFFAR1
SCHEMBL4035427 0.78 FFAR1 (0.56) PPARGPPARAPPARDKDRFFAR1

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 PPARG 593/4885PPARA 156/4885VDR 435/4885

“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.