SCHEMBL5110040

SCHEMBL5110040

CC(C)n1nc(OCc2ccccc2)cc1C=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.45
PTGER4 P35408 7/20 0.44
PTGER2 P43116 7/20 0.44
PTGER3 P43115 7/20 0.44
PTGER1 P34995 5/20 0.44
AKR1C3 P42330 4/20 0.42
PTGDR Q13258 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
AKR1C2 P52895 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
SCHEMBL5110036 1.00 KDM4E (0.46) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL6035428 0.84 PKM (0.52) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL6035432 0.84 PKM (0.52) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5106916 0.84 KDM4E (0.44) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5106913 0.84 KDM4E (0.44) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5114932 0.84 PKM (0.45) ALDH1A1PKMLMNA
SCHEMBL5107853 0.82 KDM4E (0.48) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5107858 0.82 KDM4E (0.48) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5405458 0.81 ALDH1A1 (0.48) KDM4EALDH1A1PKMLMNAPTGER4
SCHEMBL5405463 0.81 ALDH1A1 (0.48) KDM4EALDH1A1PKMLMNAPTGER4

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 3 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
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US 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 (2 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 KDM4E 509/4885ALDH1A1 1442/4885PKM 2082/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 KDM4E 1854/4885ALDH1A1 1527/4885PKM 3398/4885

“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.