SCHEMBL6539192

SCHEMBL6539192

CCC(=O)NCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OCc3ccccc3)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.51
ALDH1A1 P00352 1/20 0.47
GSK3B P49841 1/20 0.46
NR4A2 P43354 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL6538946 0.91 PPARD (0.56) PPARDALDH1A1GSK3BNR4A2KDM4E
SCHEMBL6539535 0.88 PPARD (0.51) PPARDGSK3BNR4A2KDM4EMEN1
SCHEMBL6538820 0.87 PPARD (0.48) PPARDALDH1A1NR4A2RXRARXRB
SCHEMBL6540595 0.86 HDAC8 (0.47) PPARDALDH1A1NR4A2TSHRHPGD
SCHEMBL6539420 0.84 HDAC8 (0.50) PPARDALDH1A1NR4A2TSHRHPGD
SCHEMBL6540399 0.82 PPARD (0.54) PPARDALDH1A1KDM4EMEN1GAA
SCHEMBL6231803 0.82 PPARD (0.54) PPARDALDH1A1KDM4EMEN1GAA
SCHEMBL6538800 0.82 PPARD (0.57) PPARDALDH1A1NR4A2KDM4EMEN1
SCHEMBL6538965 0.82 HDAC8 (0.45) PPARDALDH1A1KDM4EMEN1HPGD
SCHEMBL6539128 0.81 PPARD (0.42) PPARDALDH1A1NR4A2MEN1HPGD

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 PPARD 1747/4885ALDH1A1 163/4885GSK3B 3866/4885

“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.