SCHEMBL6838414

SCHEMBL6838414

Oc1cc2ccc(C#CCc3ccccc3)cc2c(O)c1Cc1ccc2cocc2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.37
NQO1 P15559 3/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CETP P11597 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL6212049 0.88 MMP13 (0.42) MMP13NQO1FFAR1FFAR4SLC22A8
SCHEMBL6843303 0.85 MMP13 (0.38) MMP13
SCHEMBL6838413 0.85 NQO1 (0.36) MMP13NQO1FFAR1FFAR4CETP
SCHEMBL6212222 0.84 MMP13 (0.47) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6210457 0.84 KDM4E (0.40) MMP13NQO1FFAR1FFAR4SLC22A8
SCHEMBL6214652 0.84 LMNA (0.40) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6212328 0.84 VKORC1 (0.39) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6196076 0.84 MMP13 (0.38) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6212289 0.84 MMP13 (0.38) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6844622 0.84 KDM4E (0.40) MMP13NQO1FFAR1FFAR4SLC22A8

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 3/4885NQO1 139/4885FFAR1 2162/4885

“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.