SCHEMBL5114620

SCHEMBL5114620

CCOc1ccc(C(=O)OC)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAPK8 P45983 1/20 0.43
P2RX3 P56373 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL3802758 0.88 ALDH1A1 (0.50) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4299384 0.84 MAPT (0.50) TDP1MAPK8P2RX3SMN1; SMN2MAPT
SCHEMBL391203 0.83 POLB (0.50) TDP1P2RX3SMN1; SMN2MAPTNPC1
SCHEMBL3060488 0.83 PLK1 (0.44) MAPK8SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL26150427 0.83 NNMT (0.45) MAPK8SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL2717835 0.82 L3MBTL1 (0.43) P2RX3SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL31388891 0.81 POLB (0.49) TDP1MAPTNPC1RAB9AL3MBTL1
SCHEMBL12736555 0.81 TDP1 (0.43) TDP1MAPK8SMN1; SMN2MAPTNPC1
SCHEMBL9363634 0.80 MAPT (0.40) MAPK8SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL24818233 0.79 MAPT (0.48) P2RX3SMN1; SMN2MAPTNPC1RAB9A

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 TDP1 4792/4885MAPK8 1226/4885P2RX3 746/4885

“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.