SCHEMBL6539329

SCHEMBL6539329

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
PIK3CA P42336 7/20 0.38
MMP14 P50281 1/20 0.38
ATM Q13315 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MTOR P42345 5/20 0.37
RCE1 Q9Y256 1/20 0.37
PIK3CD O00329 1/20 0.37
CSNK2A2 P19784 1/20 0.37
AKT1 P31749 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL6538764 0.91 PPARD (0.39) PPARDPIK3CAMMP14ATMTAAR1
SCHEMBL6539607 0.88 PPARD (0.41) PPARD
SCHEMBL6539490 0.86 PPARD (0.38) PPARDTAAR1RCE1FFAR4GABRA1
SCHEMBL6258240 0.86 PPARD (0.40) PPARDPIK3CATAAR1MTORRCE1
SCHEMBL6538808 0.85 HSD17B1 (0.40) PPARDPIK3CAMTORRCE1AKT1
SCHEMBL6539086 0.85 MEN1 (0.45) PPARDFFAR4
SCHEMBL6540113 0.85 TP53 (0.39) PPARDTAAR1RCE1AKT1GABRA1
SCHEMBL6539113 0.82 RAB9A (0.48) ATM
SCHEMBL6540457 0.82 PPARD (0.41) PPARDPIK3CAMMP14ATMTAAR1
SCHEMBL6539093 0.81 PPARD (0.40) PPARDPIK3CAMMP14ATMTAAR1

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 2 patents. 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 claimed
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 1747/4885PIK3CA 3495/4885MMP14 1464/4885

“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.