SCHEMBL6232653

SCHEMBL6232653

CCCC(O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(O)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
NOX1 Q9Y5S8 1/20 0.41
PPARD Q03181 6/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
APP P05067 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL6539945 0.87 PTGS2 (0.39) PPARDMAPTKMT2AMEN1KDM4E
SCHEMBL6539116 0.86 ESR2 (0.43) ESR2ESR1NOX1PPARDMAPT
SCHEMBL6539632 0.84 ESR2 (0.45) ESR2ESR1NOX1PPARDMAPT
SCHEMBL12286391 0.84 PPARD (0.39) ESR2ESR1PPARDMAPTNPC1
SCHEMBL6208355 0.82 ESR2 (0.49) ESR2ESR1NOX1PPARDMAPT
SCHEMBL6539838 0.81 PTGS2 (0.35) PPARDMAPTKMT2AMEN1KDM4E
SCHEMBL6230071 0.81 ESR2 (0.47) ESR2ESR1NOX1PPARDMAPT
SCHEMBL6539500 0.81 ESR2 (0.47) ESR2ESR1NOX1PPARDMAPT
SCHEMBL12462259 0.81 PPARD (0.41) PPARDMAPTTP53NPC1KDM4E
SCHEMBL13352333 0.81 PPARD (0.39) PPARDMAPTKMT2ANPC1KDM4E

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 ESR2 667/4885ESR1 2518/4885NOX1 295/4885

“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.