SCHEMBL1745342

SCHEMBL1745342

COC(=O)CCc1ccc(OCc2cccc(Br)c2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
FFAR4 Q5NUL3 4/20 0.51
FFAR1 O14842 2/20 0.51
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MRGPRX4 Q96LA9 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1746558 0.85 FFAR1 (0.53) FFAR4FFAR1MRGPRX4SMN1; SMN2MAPT
SCHEMBL2351967 0.84 FFAR1 (0.64) FFAR4FFAR1MRGPRX4SMN1; SMN2MAPT
SCHEMBL6378 0.83 TAAR1 (0.53) FFAR4FFAR1ESR1NR3C1PGR
SCHEMBL29970923 0.83 TAAR1 (0.53) FFAR4FFAR1ESR1NR3C1PGR
SCHEMBL1743642 0.82 FFAR1 (0.74) FFAR4FFAR1ESR1NR3C1PGR
SCHEMBL2498067 0.80 FFAR1 (0.49) FFAR4FFAR1THRATHRBMAOB
SCHEMBL30643734 0.77 CDK8 (0.52) SMN1; SMN2MAPTALDH1A1
SCHEMBL26641492 0.77 CDK8 (0.52) SMN1; SMN2MAPTALDH1A1
SCHEMBL16050838 0.77 FFAR4 (0.57) HDAC1HDAC2FFAR4FFAR1THRA
SCHEMBL3239979 0.77 MRGPRX4 (0.48) HDAC1MRGPRX4SMN1; SMN2MAPTNPC1

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 8 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
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-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 HDAC1 2397/4885HDAC2 3168/4885FFAR4 17/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR HDAC1 2106/4885HDAC2 2526/4885FFAR4 44/4885

“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.