SCHEMBL5113546

SCHEMBL5113546

CCCOc1cc(C=O)n(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MDM2 Q00987 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
PDE5A O76074 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
APP P05067 1/20 0.36
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 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
SCHEMBL4914763 0.89 SMN1; SMN2 (0.41) TP53MDM2SMN1; SMN2POLBTDP1
SCHEMBL5119974 0.85 CNR1 (0.46) SMN1; SMN2HTR2AHTR2CSLC6A4MAPT
SCHEMBL5106823 0.84 KDM4E (0.46) TP53MDM2SMN1; SMN2POLBPDE5A
SCHEMBL5106822 0.84 KDM4E (0.46) TP53MDM2SMN1; SMN2POLBPDE5A
SCHEMBL5118980 0.80 POLB (0.41) SMN1; SMN2POLBTDP1ALDH1A1LMNA
SCHEMBL13946373 0.79 PTGS2 (0.48) POLBALDH1A1LMNANPSR1RAB9A
SCHEMBL5120406 0.78 PKM (0.46) SMN1; SMN2HTR2AHTR2CSLC6A4MAPT
SCHEMBL5109059 0.77 POLB (0.41) TP53MDM2SMN1; SMN2POLBPDE5A
SCHEMBL5119896 0.76 SMN1; SMN2 (0.54) TP53MDM2SMN1; SMN2POLBTDP1
SCHEMBL20569272 0.75 KCNJ6 (0.45) SMN1; SMN2POLBPDE5AALDH1A1LMNA

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 TP53 4637/4885MDM2 3883/4885SMN1; 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.