SCHEMBL6539618

SCHEMBL6539618

COc1ccc(-c2oc(C(=O)C(C)C)nc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A2 P43354 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
PPARA Q07869 1/20 0.43
PTGER4 P35408 2/20 0.43
SMPD1 P17405 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6229619 0.89 NR4A2 (0.58) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6539519 0.88 PPARD (0.47) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6207458 0.87 PPARD (0.49) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6235166 0.85 PPARD (0.42) PPARDHTTALDH1A1LMNANR4A2
SCHEMBL6284293 0.85 PPARD (0.42) PPARDHTTALDH1A1LMNANR4A2
SCHEMBL6539225 0.84 PPARD (0.49) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6539702 0.84 PPARD (0.49) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6540193 0.84 ESR2 (0.44) PPARDHTTALDH1A1LMNANPC1
SCHEMBL6539723 0.84 PPARD (0.47) PPARDHTTALDH1A1LMNANPSR1
SCHEMBL6539638 0.84 PPARD (0.47) PPARDHTTALDH1A1LMNANPSR1

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 1747/4885HTT 3783/4885ALDH1A1 163/4885

“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.