SCHEMBL6843282

SCHEMBL6843282

Oc1cc2ccc(C#CCc3ccccc3)cc2c(O)c1Cc1ccc2ocnc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
NQO1 P15559 2/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6217642 0.96 MEN1 (0.38) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6842318 0.87 MMP13 (0.40) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6838413 0.83 NQO1 (0.36) MMP13CTNNB1WNT3ANQO1FFAR1
SCHEMBL6194134 0.83 MEN1 (0.40) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6843025 0.83 MEN1 (0.40) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6212049 0.82 MMP13 (0.42) MMP13ALDH1A1NQO1SLC22A8FFAR1
SCHEMBL6210537 0.81 MEN1 (0.42) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6838414 0.80 MMP13 (0.37) MMP13NQO1SLC22A8FFAR1FFAR4
SCHEMBL6194013 0.80 MMP13 (0.42) MMP13MEN1ALDH1A1GAAKMT2A
SCHEMBL6210633 0.80 ABCB1 (0.35) MMP13CTNNB1WNT3ANQO1

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 3/4885MEN1 2172/4885ALDH1A1 1588/4885

“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.