SCHEMBL6539358

SCHEMBL6539358

COc1ccc(-c2oc(C(C)(C)O)nc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
PPARD Q03181 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MMP14 P50281 1/20 0.40
ATM Q13315 1/20 0.40
DGAT1 O75907 2/20 0.38
CYP2A6 P11509 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ACP1 P24666 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ATR Q13535 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL6538975 0.80 PPARD (0.49) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6207246 0.79 PPARD (0.45) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6540217 0.79 NR4A2 (0.51) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6539547 0.79 PPARD (0.44) RCE1PPARDMEN1KMT2ACYP2A6
SCHEMBL6538918 0.79 RCE1 (0.44) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6228805 0.78 MKNK1 (0.50) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6207843 0.78 MEN1 (0.45) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6230344 0.78 RCE1 (0.43) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6207562 0.78 RCE1 (0.46) RCE1PPARDMEN1KMT2ATAAR1
SCHEMBL6539994 0.78 PPARD (0.52) RCE1PPARDMEN1KMT2ATAAR1

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 RCE1 337/4885PPARD 1747/4885MEN1 4420/4885

“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.