SCHEMBL6208081

SCHEMBL6208081

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
MAOB P27338 2/20 0.57
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PARP10 Q53GL7 1/20 0.54
PLA2G4B P0C869 1/20 0.53

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
SCHEMBL6207298 0.87 RAB9A (0.59) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL6210392 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL6208904 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL6207300 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1POLBMAOB
Hydrochloric Acid SCHEMBL6210482 0.85 RAB9A (0.57) RAB9ASMN1; SMN2NPC1POLBMAOB
Hydrochloric Acid SCHEMBL6207459 0.85 RAB9A (0.57) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL2528895 0.84 LMNA (0.67) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL812736 0.84 LMNA (0.67) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL29262742 0.84 LMNA (0.67) RAB9ASMN1; SMN2NPC1POLBALDH1A1
Benzoin SCHEMBL25372931 0.83 LMNA (0.66) RAB9ASMN1; SMN2NPC1POLBALDH1A1

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 RAB9A 4006/4885SMN1; SMN2 3341/4885NPC1 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.