SCHEMBL6538971

SCHEMBL6538971

COc1ccc(-c2nc(C(=O)N(C)OC)oc2-c2ccc(O)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
FYN P06241 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
OXTR P30559 3/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
RCE1 Q9Y256 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HDAC3 O15379 1/20 0.37
GABRA1 P14867 1/20 0.37
NR4A2 P43354 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ERN1 O75460 2/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL6539662 0.86 PPARD (0.41) PPARDFYNHDAC6MKNK1MKNK2
SCHEMBL6232912 0.85 MEN1 (0.48) PPARDOXTRMEN1KMT2A
SCHEMBL6208237 0.84 MKNK1 (0.50) PPARDFYNHDAC6MKNK1MKNK2
SCHEMBL6539384 0.81 PPARD (0.39) PPARDHDAC6MKNK1MKNK2OXTR
SCHEMBL6538576 0.80 PPARD (0.41) PPARDFYNHDAC6MKNK1MKNK2
SCHEMBL6539397 0.79 NR4A2 (0.44) PPARDNR4A2RXRARXRB
SCHEMBL6539876 0.78 HPGD (0.50) PPARDFYNHDAC6GABRA1
SCHEMBL6540217 0.76 NR4A2 (0.51) PPARDHDAC6MKNK1MKNK2RCE1
SCHEMBL6228805 0.75 MKNK1 (0.50) PPARDHDAC6MKNK1MKNK2OXTR
SCHEMBL6233212 0.75 HSD17B1 (0.42) PPARDFYNHDAC6MKNK1MKNK2

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 PPARD 1747/4885FYN 2738/4885HDAC6 1851/4885

“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.