SCHEMBL6539094

SCHEMBL6539094

COc1ccc(-c2nc(C#N)oc2-c2ccc(OCCOC(C)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
PPARD Q03181 6/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CNR1 P21554 1/20 0.40
CASP1 P29466 1/20 0.40
CNR2 P34972 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA1 P30542 1/20 0.38
APP P05067 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6540135 0.87 ADORA1 (0.42) MAPTPPARDCYP3A4ALOX15CNR1
SCHEMBL6540529 0.86 MTNR1A (0.58) MAPTPPARDCYP3A4ALOX15CNR1
SCHEMBL6253740 0.85 MMP2 (0.45) PPARDPTGS2LMNA
SCHEMBL6539505 0.82 ADORA1 (0.51) MAPTCYP3A4ALOX15CNR1CASP1
SCHEMBL6539903 0.82 PPARD (0.41) PPARDMTNR1AMTNR1BALDH1A1PTGS2
SCHEMBL11071662 0.78 RXRA (0.51) PPARDCYP3A4PTGS2LMNAKDM4E
SCHEMBL6539073 0.77 PPARD (0.50) MAPTPPARDCYP3A4ALOX15CNR1
SCHEMBL9658508 0.74 MTNR1A (0.59) MAPTSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL6207843 0.74 MEN1 (0.45) MAPTPPARDSMN1; SMN2ALDH1A1LMNA
SCHEMBL6277754 0.73 PPARD (0.43) PPARDALOX15CNR1MTNR1AMTNR1B

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 MAPT 4796/4885PPARD 1747/4885CYP3A4 134/4885

“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.