SCHEMBL5113557

SCHEMBL5113557

O=C(O)/C=C/c1cc(OCc2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PTGER3 P43115 4/20 0.46
PTGER4 P35408 4/20 0.46
PTGER2 P43116 4/20 0.46
PTGER1 P34995 3/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
PTGDR Q13258 1/20 0.41
CNR1 P21554 2/20 0.41
ACHE P22303 2/20 0.41
CNR2 P34972 2/20 0.41
AKR1C3 P42330 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
PDE5A O76074 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
SCHEMBL5113563 1.00 PKM (0.48) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5107858 0.89 KDM4E (0.48) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5107853 0.89 KDM4E (0.48) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5106822 0.87 KDM4E (0.46) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL5120523 0.87 KDM4E (0.46) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5106823 0.87 KDM4E (0.46) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL5120530 0.87 KDM4E (0.46) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5106916 0.86 KDM4E (0.44) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL5106913 0.86 KDM4E (0.44) PKMKDM4EALDH1A1PTGER3PTGER4
SCHEMBL6035428 0.84 PKM (0.52) PKMKDM4EALDH1A1PTGER3PTGER4

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 PKM 3398/4885KDM4E 1854/4885ALDH1A1 1527/4885

“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.