SCHEMBL5108910

SCHEMBL5108910

CCOc1nn(Cc2ccc(Cl)cc2Cl)cc1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
TLR8 Q9NR97 3/20 0.39
LMNA P02545 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CRHR1 P34998 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
SCHEMBL5107205 0.83 LMNA (0.44) LMNAKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL5113087 0.79 TLR8 (0.42) TLR8LMNAKDM4EALDH1A1KMT2A
SCHEMBL6034607 0.76 HDAC1 (0.43) PDE4DLMNAALDH1A1POLB
SCHEMBL5120333 0.76 PPARG (0.47) PPARG
SCHEMBL5110169 0.72 EPHX2 (0.48) LMNAMAPK1SMN1; SMN2
SCHEMBL585759 0.71 IDO1 (0.52) CYP3A4CYP2C9MAPK1CYP1A2HTT
SCHEMBL5106861 0.69 HPGD (0.41) LMNANPSR1MAPTMAPK1CYP1A2
SCHEMBL5112056 0.69 PPARG (0.61) PPARG
SCHEMBL5114692 0.67 PPARG (0.53) PPARG
SCHEMBL5114003 0.67 LMNA (0.43) LMNAKDM4EALDH1A1KMT2ACYP3A4

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 PDE4D 4647/4885TLR8 671/4885LMNA 3761/4885

“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.