SCHEMBL6845451

SCHEMBL6845451

COc1cc(CC#Cc2ccc3cc(O)c(Cc4ccccc4)c(O)c3c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
MMP13 P45452 7/20 0.36
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CETP P11597 1/20 0.34
CASP3 P42574 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ACACB O00763 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PDE2A O00408 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
SCHEMBL6213044 0.86 MMP13 (0.38) MMP13CETP
SCHEMBL6842418 0.86 FFAR1 (0.39) FFAR1MMP13
SCHEMBL6209461 0.84 VKORC1 (0.43) FFAR1CETP
SCHEMBL6213824 0.84 MMP13 (0.40) FFAR1MMP13
SCHEMBL6209706 0.84 MMP13 (0.40) FFAR1MMP13
SCHEMBL6212049 0.83 MMP13 (0.42) FFAR1MMP13
SCHEMBL6194203 0.83 MMP13 (0.42) MMP13CETPPDE3BPDE3APDE10A
SCHEMBL6194194 0.83 MMP13 (0.42) MMP13CETPPDE3BPDE3APDE10A
SCHEMBL6843278 0.82 CYP11B1 (0.42) FFAR1LOXLOXL2ACACBPLA2G7
SCHEMBL6844622 0.81 KDM4E (0.40) FFAR1MMP13

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 FFAR1 2162/4885MMP13 3/4885LOX 143/4885

“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.