SCHEMBL6540328

SCHEMBL6540328

COc1ccc(C(=O)[CH]c2ccc(CCOCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GPR52 Q9Y2T5 1/20 0.54
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSPD1 P10809 1/20 0.47
TNFRSF1A P19438 1/20 0.47
HSPE1 P61604 1/20 0.47
CYP1B1 Q16678 1/20 0.47
BCHE P06276 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL6207461 0.84 AKR1C3 (0.54) MAOBTDP1L3MBTL1GPR52RAB9A
SCHEMBL6539581 0.84 AKR1C3 (0.54) MAOBTDP1L3MBTL1GPR52RAB9A
SCHEMBL6540410 0.84 MAOB (0.77) MAOBL3MBTL1GPR52RAB9ANPC1
SCHEMBL6539376 0.84 MAOB (0.77) MAOBL3MBTL1GPR52RAB9ANPC1
SCHEMBL27615709 0.82 TDP1 (0.77) TDP1L3MBTL1RAB9ANPC1MEN1
SCHEMBL8338571 0.82 TDP1 (0.77) TDP1L3MBTL1RAB9ANPC1MEN1
SCHEMBL6208279 0.81 NPC1 (0.62) TDP1L3MBTL1GPR52RAB9ANPC1
SCHEMBL8723038 0.79 MAOB (0.71) MAOBGPR52RAB9ANPC1MAPT
SCHEMBL31149014 0.78 RAB9A (0.49) MAOBTDP1L3MBTL1RAB9ANPC1
SCHEMBL8716189 0.78 L3MBTL1 (0.70) MAOBTDP1L3MBTL1RAB9ANPC1

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 397/4885TDP1 3717/4885L3MBTL1 4432/4885

“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.