SCHEMBL5110087

SCHEMBL5110087

COCCOc1ccc(CCCO)c(OCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
HDAC8 Q9BY41 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NR4A2 P43354 2/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BLM P54132 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
MAPK1 P28482 1/20 0.40
UBE2N P61088 1/20 0.40
GAA P10253 1/20 0.40
SLC26A4 O43511 1/20 0.39
POLB P06746 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL3210357 0.83 LMNA (0.47) NPSR1LMNAHDAC8KMT2AMEN1
SCHEMBL5112200 0.81 NPC1 (0.45) LMNAHDAC8ALDH1A1NR4A2HTT
SCHEMBL3217103 0.80 LTA4H (0.50) LMNAKMT2AMEN1L3MBTL1
SCHEMBL3208083 0.80 PPARG (0.54) LMNASMN1; SMN2MAPK1PPARGL3MBTL1
SCHEMBL5109712 0.77 PPARG (0.45) HDAC8NR4A2NR4A1NR4A3PPARG
SCHEMBL3221870 0.76 PPARG (0.65) PPARG
SCHEMBL5111232 0.76 PSEN1 (0.44) KMT2AHTTPPARG
SCHEMBL3206863 0.75 TBXA2R (0.47) LMNAHDAC8KMT2AMEN1ALDH1A1
SCHEMBL5111995 0.75 PPARG (0.51) PPARG
SCHEMBL3206882 0.75 TBXA2R (0.47) LMNAHDAC8KMT2AMEN1ALDH1A1

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 NPSR1 645/4885LMNA 3761/4885HDAC8 156/4885

“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.