SCHEMBL1746558

SCHEMBL1746558

COC(=O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.53
FFAR4 Q5NUL3 5/20 0.53
AKR1B1 P15121 1/20 0.53
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
XBP1 P17861 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MRGPRX4 Q96LA9 5/20 0.49
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL1746622 0.89 FFAR1 (0.67) FFAR1FFAR4AKR1B1NPC1TP53
SCHEMBL2351967 0.87 FFAR1 (0.64) FFAR1FFAR4NPC1TP53XBP1
SCHEMBL1746659 0.87 FFAR1 (0.53) FFAR1FFAR4AKR1B1MRGPRX4PTPN1
SCHEMBL1745342 0.85 HDAC1 (0.53) FFAR1FFAR4NPC1TP53XBP1
SCHEMBL2351084 0.83 CD274 (0.56) FFAR1FFAR4PTPN1
SCHEMBL9456168 0.83 PTPN1 (0.55) FFAR1FFAR4AKR1B1PTPN1
SCHEMBL1744991 0.82 FFAR1 (0.77) FFAR1FFAR4AKR1B1
SCHEMBL5039697 0.82 PTPN1 (0.54) FFAR1FFAR4AKR1B1PTPN1
SCHEMBL5033493 0.82 PTPN1 (0.54) FFAR1FFAR4AKR1B1MAPTPTPN1
SCHEMBL1744682 0.80 FFAR1 (0.56) FFAR1FFAR4AKR1B1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 EP disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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 (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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 FFAR1 16/4885FFAR4 17/4885AKR1B1 825/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR FFAR1 33/4885FFAR4 44/4885AKR1B1 1186/4885

“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.