SCHEMBL6196274

SCHEMBL6196274

Brc1ccc(CC#Cc2ccc3ccc(Cc4ccccc4)cc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PYCR1 P32322 1/20 0.39
IDH1 O75874 1/20 0.35
MMP13 P45452 6/20 0.34
CALM1 P0DP23 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.32
MELK Q14680 1/20 0.32
ACACB O00763 1/20 0.32
TEAD4 Q15561 1/20 0.32
FEN1 P39748 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
SCHEMBL6195680 1.00 ASIC3 (0.42) ASIC3FFAR1FFAR4PYCR1IDH1
SCHEMBL6192542 0.93 ASIC3 (0.47) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6196285 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6195037 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6193080 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6195577 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6194646 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6193088 0.86 MMP13 (0.46) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6194527 0.86 MMP13 (0.46) ASIC3FFAR1FFAR4IDH1MMP13
SCHEMBL6195650 0.86 ASIC3 (0.42) ASIC3FFAR1FFAR4IDH1MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 ASIC3 1686/4885FFAR1 2162/4885FFAR4 2725/4885

“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.