SCHEMBL6539757

SCHEMBL6539757

COc1ccc(-c2nc(C(=O)CC(C)C)oc2-c2ccc(O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.43
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6208406 0.88 PPARD (0.41) PPARDMAPTNPC1ALDH1A1LMNA
SCHEMBL6539519 0.86 PPARD (0.47) PPARDNPC1ALDH1A1LMNANR4A2
Hydrochloric Acid SCHEMBL6538966 0.85 PPARD (0.39) PPARDMAPTNPC1ALDH1A1LMNA
SCHEMBL6538576 0.84 PPARD (0.41) PPARDNR4A2MEN1KMT2A
SCHEMBL6540193 0.84 ESR2 (0.44) PPARDESR2ESR1MAPTNPC1
SCHEMBL6252437 0.82 MTNR1A (0.42) PPARDMAPTNPC1ALDH1A1LMNA
SCHEMBL6278136 0.82 ALDH1A1 (0.39) PPARDMAPTNPC1ALDH1A1LMNA
SCHEMBL6231751 0.82 IKBKB (0.47) PPARDESR2ESR1MAPTNPC1
SCHEMBL6538888 0.80 PPARD (0.38) PPARDMAPTNPC1ALDH1A1LMNA
SCHEMBL6538835 0.79 ESR2 (0.45) PPARDESR2ESR1MAPTNPC1

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 1747/4885ESR2 667/4885ESR1 2518/4885

“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.