SCHEMBL6540457

SCHEMBL6540457

COc1ccc(-c2nc(C(=O)C3CC3)oc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ABL1 P00519 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PIK3CA P42336 7/20 0.37
MTOR P42345 6/20 0.37
JAK1 P23458 1/20 0.37
AKT1 P31749 2/20 0.37
PIK3CD O00329 1/20 0.37
CSNK2A2 P19784 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP14 P50281 1/20 0.36
ATM Q13315 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL6538954 0.88 PPARD (0.38) PPARDTAAR1RCE1ABL1ACACB
SCHEMBL6539374 0.88 PPARD (0.37) PPARDTAAR1RCE1ABL1ACACB
SCHEMBL6235990 0.87 PPARD (0.43) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6538915 0.87 PPARD (0.36) PPARDTAAR1RCE1ABL1ACACB
SCHEMBL6538909 0.87 PPARD (0.36) PPARDTAAR1RCE1ABL1ACACB
SCHEMBL6208169 0.84 PPARD (0.42) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6232652 0.82 TAAR1 (0.41) PPARDTAAR1RCE1HDAC6MKNK1
SCHEMBL6539600 0.82 PPARD (0.41) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6392729 0.82 HPGD (0.46) PPARDTAAR1RCE1NPC1RAB9A
SCHEMBL6539329 0.82 PPARD (0.41) PPARDTAAR1RCE1PIK3CAMTOR

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 1747/4885TAAR1 1264/4885RCE1 337/4885

“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.