SCHEMBL6539741

SCHEMBL6539741

COc1ccc(C(=O)C(c2ccc(OCc3ccccc3)cc2)C(C(=O)O)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 1/20 0.43
FFAR1 O14842 3/20 0.43
PDE4A P27815 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
SCHEMBL6538976 0.85 POLB (0.50) TNFPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6206768 0.78 MAOB (0.52) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6206497 0.78 MAOB (0.52) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6539764 0.77 MEN1 (0.50) TNFPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6207298 0.76 RAB9A (0.59) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6208081 0.76 RAB9A (0.59) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL16322640 0.75 GRM5 (0.53) POLBMAOBGRM5
SCHEMBL16322642 0.75 GRM5 (0.53) POLBMAOBGRM5
SCHEMBL6210392 0.75 RAB9A (0.58) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6207300 0.75 RAB9A (0.58) POLBNPC1RAB9ASMN1; SMN2MAOB

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 TNF 863/4885POLB 2793/4885NPC1 1686/4885

“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.