SCHEMBL6207933

SCHEMBL6207933

COc1ccc(C(=O)C(Br)c2ccc(CCOCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
TSHR P16473 1/20 0.43
CNR2 P34972 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3100854 0.89 RAB9A (0.46) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6210392 0.84 RAB9A (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6208904 0.84 RAB9A (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6207441 0.81 TDP1 (0.46) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7017619 0.80 ALDH1A1 (0.57) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6201289 0.80 ALDH1A1 (0.61) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27615709 0.80 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9ATSHR
SCHEMBL8338571 0.80 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9ATSHR
SCHEMBL6208279 0.80 NPC1 (0.62) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3089210 0.78 ALDH1A1 (0.62) NPC1RAB9AMAPTALDH1A1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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 TDP1 3717/4885L3MBTL1 4432/4885NPC1 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.