SCHEMBL5733759

SCHEMBL5733759

COP(=O)(CC(=O)c1cccc(OCCN2CCOCC2)c1)OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDR P35968 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HTT P42858 1/20 0.48
MAPK14 Q16539 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL385247 0.82 KDM4E (0.62) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL15459823 0.82 ALDH1A1 (0.67) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL4698008 0.81 KDM4E (0.70) KDM4ETSHRTP53SMN1; SMN2GAA
SCHEMBL1417162 0.80 KDM4E (0.60) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL4376838 0.79 KDM4E (0.68) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL10480077 0.79 KDM4E (0.65) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL5732822 0.79 POLB (0.69) SMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL13701717 0.78 EPHX2 (0.63) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL5734264 0.78 SMPD1 (0.55) TP53GAA
SCHEMBL1417060 0.78 L3MBTL1 (0.66) KDM4ETSHRTP53SMN1; SMN2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO 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-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 KDM4E 1769/4885TSHR 272/4885TP53 4864/4885

“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.