SCHEMBL6842679

SCHEMBL6842679

COc1cccc(CNC(=O)c2ccc3cc(O)c(C(O)c4ccc(C(=O)O)cc4)cc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.62
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PRKACA P17612 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCQ Q04759 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
APEX1 P27695 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
AURKA O14965 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
PTGER4 P35408 1/20 0.45

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
SCHEMBL6842474 0.90 NPC1 (0.54) MMP13HPGDCYP2C9NR1H4RAB9A
SCHEMBL6196214 0.89 MMP13 (0.67) MMP13LMNAHPGDROCK2ROCK1
SCHEMBL6842637 0.88 NR1H4 (0.61) MMP13HPGDNR1H4
SCHEMBL6842617 0.85 MMP13 (0.44) MMP13ROCK1GSK3BNR1H4
SCHEMBL6845397 0.84 THRB (0.44) MMP13RAB9AMAPTPTGER4MAOA
SCHEMBL6843414 0.84 NR1H4 (0.55) MMP13LMNAHPGDCYP3A4CYP2C9
SCHEMBL6843373 0.82 LMNA (0.48) MMP13LMNAHPGDCYP3A4NR1H4
SCHEMBL6194754 0.82 MMP13 (0.69) MMP13LMNAHPGDROCK2ROCK1
SCHEMBL6845319 0.82 NR1H4 (0.55) MMP13LMNANR1H4MAPTPTGER4
SCHEMBL6843480 0.82 NR1H4 (0.55) MMP13NR1H4RAB9APTGER4

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 3/4885LMNA 1548/4885HPGD 156/4885

“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.