SCHEMBL6843459

SCHEMBL6843459

COc1cc(CNC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.52
NR1H4 Q96RI1 4/20 0.46
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 1/20 0.42
KLKB1 P03952 3/20 0.40
KLK1 P06870 3/20 0.40

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
SCHEMBL6842615 0.87 MMP13 (0.51) MMP13NR1H4EPHX2HDAC1KLKB1
SCHEMBL6196444 0.87 MMP13 (0.54) MMP13NR1H4EPHX2HDAC1KLKB1
SCHEMBL6194845 0.85 MMP13 (0.48) MMP13NR1H4EPHX2HDAC1KLKB1
SCHEMBL6838118 0.84 MMP13 (0.55) MMP13NR1H4EPHX2HDAC1
SCHEMBL6843392 0.84 NR1H4 (0.52) MMP13NR1H4EPHX2
SCHEMBL6843390 0.84 MMP13 (0.40) MMP13
SCHEMBL6194250 0.84 NR1H4 (0.52) MMP13NR1H4EPHX2HDAC1KLKB1
SCHEMBL6842501 0.83 NR1H4 (0.54) MMP13NR1H4EPHX2
SCHEMBL6843263 0.83 MMP13 (0.67) MMP13NR1H4
SCHEMBL6176003 0.81 MMP13 (0.65) MMP13NR1H4

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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 MMP13 3/4885NR1H4 1615/4885EPHX2 2569/4885

“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.