SCHEMBL5118980

SCHEMBL5118980

CC(C)Oc1cc(C=O)n(Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
PPARG P37231 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5107906 0.84 PPARG (0.47) POLBPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL4914763 0.82 SMN1; SMN2 (0.41) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20569272 0.81 KCNJ6 (0.45) POLBMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL5119974 0.81 CNR1 (0.46) SMN1; SMN2MAPT
SCHEMBL3265521 0.80 POLB (0.45) POLBPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL5113546 0.80 TP53 (0.42) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL3205423 0.79 PPARG (0.62) POLBPPARG
SCHEMBL13946373 0.77 PTGS2 (0.48) POLBMEN1KMT2APTGS2ALDH1A1
SCHEMBL5120275 0.77 PPARG (0.48) POLBPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL5106653 0.75 SMN1; SMN2 (0.49) POLBPPARGMEN1KMT2ASMN1; SMN2

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 POLB 4079/4885PPARG 52/4885MEN1 4517/4885

“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.