SCHEMBL6539003

SCHEMBL6539003

COc1ccc(-c2nc(OC)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.44
PTGS2 P35354 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PPARD Q03181 1/20 0.42
MAPT P10636 2/20 0.41
ADORA1 P30542 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6539871 0.92 ESR2 (0.53) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6539414 0.87 PPARD (0.43) ALDH1A1KDM4EHPGDPTGS2KMT2A
SCHEMBL6258696 0.86 PPARD (0.40) ALDH1A1KDM4EHPGDPTGS2KMT2A
SCHEMBL6207736 0.84 NPSR1 (0.54) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL31194858 0.82 MAPK13 (0.54) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11755675 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL3105040 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6538964 0.81 PPARD (0.39) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6275147 0.80 PPARD (0.40) ALDH1A1PTGS2KMT2AMEN1PPARD
SCHEMBL6539106 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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 ALDH1A1 163/4885KDM4E 1912/4885LMNA 2620/4885

“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.