SCHEMBL6539399

SCHEMBL6539399

COc1ccc(-c2nc(C(=O)C3CC3)oc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
FAAH O00519 12/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ANO1 Q5XXA6 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 0.87 NR4A2 (0.58) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6207458 0.85 PPARD (0.49) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539618 0.84 PPARD (0.48) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539225 0.83 PPARD (0.49) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539702 0.83 PPARD (0.49) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539723 0.82 PPARD (0.47) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539519 0.82 PPARD (0.47) PPARDFAAHALDH1A1LMNAHTT
SCHEMBL6235969 0.82 PPARD (0.47) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539638 0.82 PPARD (0.47) PPARDALDH1A1LMNAHTTNPSR1
SCHEMBL6539351 0.82 RAB9A (0.53) PPARDALDH1A1LMNAHTTNPSR1

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 1747/4885FAAH 96/4885ALDH1A1 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.