SCHEMBL6540595

SCHEMBL6540595

CCC(=O)NCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OCCO)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
PPARD Q03181 9/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 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
SCHEMBL6539420 0.92 HDAC8 (0.50) HDAC8PPARDHPGDL3MBTL1HTT
SCHEMBL6538965 0.89 HDAC8 (0.45) HDAC8PPARDMTNR1AMTNR1BHPGD
SCHEMBL6539128 0.88 PPARD (0.42) HDAC8PPARDMTNR1AMTNR1BHPGD
SCHEMBL6538820 0.88 PPARD (0.48) HDAC8PPARDHTTNR4A2ALDH1A1
SCHEMBL6539460 0.88 PPARD (0.42) HDAC8PPARDHPGDL3MBTL1HTT
SCHEMBL6539197 0.87 PPARD (0.46) HDAC8PPARDNR4A2
SCHEMBL6539192 0.86 PPARD (0.51) PPARDMTNR1AHPGDNR4A2ALDH1A1
SCHEMBL6539893 0.85 PPARD (0.42) HDAC8PPARDHPGDL3MBTL1NR4A2
SCHEMBL6539653 0.81 PPARD (0.51) HDAC8PPARDNR4A2
SCHEMBL6539706 0.79 HDAC8 (0.44) HDAC8PPARDNR4A2

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 HDAC8 1098/4885PPARD 1747/4885MTNR1A 410/4885

“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.