SCHEMBL6539766

SCHEMBL6539766

COc1ccc(-c2nc(C(N)=O)oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
PPARD Q03181 8/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 2/20 0.41
NR4A2 P43354 2/20 0.41
CHEK2 O96017 1/20 0.40
MEN1 O00255 1/20 0.39
PARP1 P09874 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL6539373 0.92 PPARD (0.43) IKBKBPPARDKDM4EALDH1A1PTGS2
SCHEMBL6539080 0.90 IKBKB (0.51) IKBKBPPARDKDM4EALDH1A1NR4A2
SCHEMBL6539903 0.89 PPARD (0.41) IKBKBPPARDKDM4EALDH1A1PTGS2
SCHEMBL6539668 0.87 MTNR1A (0.58) IKBKBPPARDKDM4EALDH1A1MEN1
SCHEMBL6235166 0.86 PPARD (0.42) IKBKBPPARDKDM4EALDH1A1PTGS2
SCHEMBL6284293 0.86 PPARD (0.42) IKBKBPPARDKDM4EALDH1A1PTGS2
SCHEMBL6538618 0.85 PPARD (0.42) IKBKBPPARDKDM4EALDH1A1NR4A2
SCHEMBL6231751 0.85 IKBKB (0.47) IKBKBPPARDKDM4EALDH1A1NR4A2
SCHEMBL6208406 0.84 PPARD (0.41) PPARDKDM4EALDH1A1PTGS2NR4A2
SCHEMBL6539837 0.84 HPGD (0.42) PPARDKDM4EALDH1A1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 IKBKB 170/4885PPARD 1747/4885KDM4E 1912/4885

“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.