SCHEMBL6540135

SCHEMBL6540135

COc1ccc(-c2nc(C#N)oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.42
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
PPARD Q03181 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CNR1 P21554 1/20 0.39
CASP1 P29466 1/20 0.39
CNR2 P34972 1/20 0.39
CASP7 P55210 1/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
PTGS2 P35354 2/20 0.39
ADORA2A P29274 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6539505 0.88 ADORA1 (0.51) ADORA1MAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6253740 0.87 MMP2 (0.45) PPARDPTGS2LMNA
SCHEMBL6539094 0.87 MAPT (0.43) ADORA1PPARDMAPTSMN1; SMN2CYP3A4
SCHEMBL6540529 0.86 MTNR1A (0.58) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6539414 0.82 PPARD (0.43) CDK1PPARDMAPTPTGS2HPGD
SCHEMBL6539751 0.80 PPARD (0.39) CDK1PPARDPTGS2
SCHEMBL6539669 0.79 KDM4E (0.41) CDK1PPARDMAPTPTGS2HPGD
SCHEMBL6269691 0.79 PPARD (0.41) CDK1PPARDMAPTPTGS2HPGD
SCHEMBL6207843 0.79 MEN1 (0.45) ADORA1PPARDMAPTSMN1; SMN2GAA
SCHEMBL6229912 0.78 PPARD (0.40) CDK1PPARDMAPTPTGS2HPGD

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 ADORA1 401/4885CDK1 1197/4885KDR 3554/4885

“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.