SCHEMBL6540399

SCHEMBL6540399

COc1ccc(-c2nc(CO)oc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.54
NPSR1 Q6W5P4 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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 1.00 PPARD (0.54) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6539039 0.88 NPSR1 (0.54) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6539010 0.88 PPARD (0.50) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL5586019 0.86 PPARD (0.52) PPARDLMNARXRARXRBMAPK1
SCHEMBL6539023 0.86 L3MBTL1 (0.48) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6538800 0.86 PPARD (0.57) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6538946 0.85 PPARD (0.56) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6207736 0.84 NPSR1 (0.54) PPARDNPSR1ALDH1A1LMNAHTT
SCHEMBL6540515 0.84 PPARD (0.53) PPARDRXRARXRBMAPK1
SCHEMBL6208499 0.83 NPSR1 (0.56) PPARDNPSR1ALDH1A1LMNAHTT

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 1747/4885NPSR1 884/4885ALDH1A1 163/4885

“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.