SCHEMBL5113087

SCHEMBL5113087

CC(C)c1nn(Cc2ccc(Cl)cc2Cl)cc1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.42
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
PPARG P37231 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5114003 0.79 LMNA (0.43) CYP2C19CYP3A4CYP2C9TSHRPPARG
SCHEMBL5108910 0.79 PDE4D (0.42) TLR8CYP2D6CYP3A4CYP2C9PPARG
SCHEMBL6035610 0.79 POLB (0.46) POLB
SCHEMBL5108762 0.76 PPARG (0.57) PPARGPOLBNPC1
SCHEMBL5107645 0.74 PPARG (0.51) PPARGALDH1A1SMN1; SMN2
SCHEMBL585759 0.72 IDO1 (0.52) CYP2C19CYP3A4CYP2C9MAPK1HTT
SCHEMBL6035671 0.71 TLR8 (0.34) TLR8
SCHEMBL6035787 0.70 CYP11B1 (0.34) TLR8MEN1KMT2AMAPTALDH1A1
SCHEMBL5110607 0.69 PPARG (0.74) PPARG
SCHEMBL1802629 0.68 ACLY (0.50) CYP2C19CYP3A4CYP2C9NPSR1MAPK1

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 TLR8 671/4885CYP2D6 187/4885CYP2C19 644/4885

“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.