SCHEMBL5113642

SCHEMBL5113642

CCCOc1cc(C(=O)OC)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ALPL P05186 10/20 0.54
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL3217260 0.92 ALPL (0.64) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL17479592 0.87 MAPK1 (0.62) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL7230719 0.83 MAPK1 (0.60) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL3202467 0.83 MAPK1 (0.60) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL7998000 0.82 MAPK1 (0.53) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL30107039 0.80 MAPK1 (0.70) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL16445052 0.78 MAPT (0.50) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL26927238 0.77 MAPK1 (0.50) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL5111954 0.77 GAA (0.56) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL22574774 0.77 MAPT (0.49) MAPK1ALPLRAB9ANPC1GAA

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 MAPK1 2249/4885ALPL 4260/4885RAB9A 3734/4885

“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.