SCHEMBL6539010

SCHEMBL6539010

COc1ccc(-c2nc(CO)oc2-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PABPC1 P11940 1/20 0.48
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.42
GRM5 P41594 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6231803 0.88 PPARD (0.54) PPARDMEN1KMT2ANPSR1MAPT
SCHEMBL6540399 0.88 PPARD (0.54) PPARDMEN1KMT2ANPSR1MAPT
SCHEMBL6540554 0.87 PPARD (0.53) PPARDMEN1KMT2APABPC1PPARG
SCHEMBL6538975 0.87 PPARD (0.49) PPARDMEN1KMT2APPARGPPARA
SCHEMBL6207254 0.86 PPARD (0.49) PPARDMEN1KMT2APABPC1PPARG
SCHEMBL6538906 0.85 PPARD (0.49) PPARDMEN1KMT2APABPC1GRM5
SCHEMBL6208143 0.84 MEN1 (0.53) PPARDMEN1KMT2APABPC1GRM5
SCHEMBL6538986 0.83 MEN1 (0.46) PPARDMEN1KMT2APABPC1NPSR1
SCHEMBL6231211 0.83 MEN1 (0.48) PPARDMEN1KMT2APABPC1NPSR1
SCHEMBL6539024 0.83 PPARD (0.43) PPARDMEN1KMT2APABPC1GRM5

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 1747/4885MEN1 4420/4885KMT2A 3081/4885

“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.