SCHEMBL6539073

SCHEMBL6539073

COc1ccc(-c2oc(COC(C)=O)nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.50
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.45
CASP1 P29466 1/20 0.45
CNR2 P34972 1/20 0.45
CASP7 P55210 1/20 0.45
GSK3B P49841 1/20 0.45
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6539819 0.86 PPARD (0.47) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6539084 0.86 PPARD (0.47) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6232546 0.84 GSK3B (0.47) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6538800 0.83 PPARD (0.57) PPARDCYP3A4LMNAGAAHPGD
SCHEMBL6539085 0.80 PPARD (0.54) PPARDRXRARXRB
SCHEMBL11071662 0.79 RXRA (0.51) PPARDCYP3A4LMNAHPGDMAPK1
SCHEMBL6539094 0.77 MAPT (0.43) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6539938 0.74 NR4A2 (0.69) PPARDCYP3A4LMNAHPGDMAPK1
SCHEMBL5586019 0.73 PPARD (0.52) PPARDCYP3A4LMNAHPGDMAPK1
SCHEMBL6540554 0.73 PPARD (0.53) PPARDCYP3A4GAAHPGDMEN1

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 1747/4885MAPT 4796/4885SMN1; SMN2 3341/4885

“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.