SCHEMBL4034811

SCHEMBL4034811

COC(=O)Cc1cc(OC)ccc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
FFAR1 O14842 1/20 0.58
PPARG P37231 9/20 0.54
PPARA Q07869 9/20 0.54
ESR1 P03372 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
VDR P11473 1/20 0.53
RXRA P19793 1/20 0.53
PPARD Q03181 1/20 0.53
ESR2 Q92731 1/20 0.53
TP53 P04637 2/20 0.51
KDR P35968 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL4030383 0.93 FFAR1 (0.56) MAPTFFAR1PPARGPPARATP53
SCHEMBL4038437 0.93 FFAR1 (0.58) MAPTFFAR1PPARGPPARATP53
SCHEMBL4032172 0.93 FFAR1 (0.58) MAPTFFAR1PPARGPPARATP53
SCHEMBL4034488 0.93 FFAR1 (0.62) MAPTFFAR1PPARGPPARAVDR
SCHEMBL4038447 0.92 FFAR1 (0.57) MAPTFFAR1PPARGPPARAKDR
SCHEMBL4035539 0.91 FFAR1 (0.56) MAPTFFAR1PPARGPPARATP53
SCHEMBL4029372 0.91 FFAR1 (0.56) MAPTFFAR1PPARGPPARATP53
SCHEMBL4038390 0.91 FFAR1 (0.58) MAPTFFAR1PPARGPPARAKDR
SCHEMBL4031396 0.87 FFAR1 (0.64) MAPTFFAR1PPARGPPARAKDR
SCHEMBL4034286 0.87 FFAR1 (0.69) MAPTFFAR1PPARGPPARAESR1

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 MAPT 4719/4885FFAR1 4/4885PPARG 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.