SCHEMBL5114324

SCHEMBL5114324

O=C(O)CCc1cc(OCc2cc(COc3ccc(Cl)cc3Cl)cc(OCc3ccccc3)c2)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 2/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5112205 0.94 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5106954 0.91 PPARG (0.49) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5112547 0.85 PPARG (0.46) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5106677 0.79 PPARG (0.51) PPARGMRGPRX4FFAR1FFAR4RAB9A
SCHEMBL5109286 0.78 PPARG (0.56) PPARGMRGPRX4FFAR1FFAR4RAB9A
SCHEMBL5121312 0.75 FFAR4 (0.45) PPARGFFAR1FFAR4RAB9ANPC1
SCHEMBL5118952 0.74 PPARG (0.47) PPARGMRGPRX4FFAR1FFAR4RAB9A
SCHEMBL3205534 0.74 PPARG (0.68) PPARGPTGER1
SCHEMBL5114936 0.73 MRGPRX4 (0.71) MAPTALDH1A1SMN1; SMN2MRGPRX4RAB9A
SCHEMBL5113860 0.73 PPARG (0.52) PPARGFFAR1FFAR4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 MAPT 4642/4885ALDH1A1 1527/4885SMN1; SMN2 3876/4885

“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.