SCHEMBL6540410

SCHEMBL6540410

COc1ccc([CH]C(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.77
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
GSK3B P49841 2/20 0.60
BACE1 P56817 2/20 0.60
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
APP P05067 1/20 0.57
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PARP10 Q53GL7 1/20 0.55

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
SCHEMBL6539376 1.00 MAOB (0.77) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8723038 0.84 MAOB (0.71) MAOBRAB9ANPC1PKMNFKB1
SCHEMBL6540328 0.84 MAOB (0.56) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL6208376 0.82 F3 (0.68) MAOBRAB9ANPC1NFKB1NFKB2
SCHEMBL9839473 0.81 KDM4E (0.66) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL9837797 0.81 KDM4E (0.66) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL9839479 0.81 KDM4E (0.66) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11372251 0.80 GSK3B (0.62) MAOBRAB9ANPC1SMN1; SMN2ABCG2
SCHEMBL791985 0.79 MAOB (0.69) MAOBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL17237521 0.79 MAOB (0.62) MAOBRAB9ANPC1SMN1; SMN2POLB

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 MAOB 397/4885RAB9A 4006/4885NPC1 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.