SCHEMBL6539607

SCHEMBL6539607

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.41
MAT2A P31153 1/20 0.40
PTGS2 P35354 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6538962 0.89 PPARD (0.39) PPARDMAT2ATP53POLBHRH3
SCHEMBL6539329 0.88 PPARD (0.41) PPARD
SCHEMBL6208111 0.85 ESR2 (0.47) PPARDTP53POLBHRH3MEN1
SCHEMBL6539395 0.85 POLB (0.41) PPARDMAT2ATP53POLB
SCHEMBL13157625 0.84 LMNA (0.42) PPARDTP53POLB
SCHEMBL13157587 0.84 LMNA (0.42) PPARDTP53POLB
SCHEMBL6538890 0.84 MTNR1A (0.44) PPARDTP53POLBMEN1KMT2A
SCHEMBL6539564 0.84 NPSR1 (0.50) PPARDPOLBMEN1KMT2A
SCHEMBL6539829 0.83 POLB (0.43) PPARDTP53POLBCDK1MEN1
SCHEMBL6539414 0.81 PPARD (0.43) PPARDPTGS2POLBCHEK1CDK1

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 1747/4885MAT2A 1224/4885PTGS2 2/4885

“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.