SCHEMBL5113088

SCHEMBL5113088

O=C(O)C=Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.54
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
HDAC8 Q9BY41 1/20 0.49
SCN9A Q15858 13/20 0.49
SCN10A Q9Y5Y9 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47

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
SCHEMBL5113072 1.00 LIPE (0.54) LIPEPTGER1PTGER4PTGER3PTGER2
SCHEMBL2394885 0.83 PTGER4 (0.62) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL2394889 0.83 PTGER4 (0.62) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL5112014 0.80 SCN9A (0.49) SCN9ASCN10A
SCHEMBL5112029 0.80 SCN9A (0.49) SCN9ASCN10A
SCHEMBL7909151 0.79 PTGER3 (0.68) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL7191225 0.79 PTGER3 (0.68) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL13506000 0.76 HPGD (0.71) LIPEMRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL6035015 0.76 HDAC8 (0.80) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL6035013 0.76 HDAC8 (0.80) PTGER1PTGER4PTGER3PTGER2HDAC8

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 LIPE 2122/4885PTGER1 2697/4885PTGER4 1928/4885

“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.