SCHEMBL6843263

SCHEMBL6843263

COc1cccc(CNC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.67
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.52
PTGER4 P35408 2/20 0.51
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PRKACA P17612 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PRKX P51817 1/20 0.50
PRKCQ Q04759 1/20 0.50
ROCK1 Q13464 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
APEX1 P27695 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL6838118 0.90 MMP13 (0.55) MMP13PTGER4NR1H4
SCHEMBL6842678 0.87 MMP13 (0.65) MMP13LMNAHPGDMAPTPTGER4
SCHEMBL6843234 0.87 NR1H4 (0.62) MMP13MAPTNR1H4
SCHEMBL6194754 0.85 MMP13 (0.69) MMP13LMNAHPGDMAPTPTGER4
SCHEMBL6194248 0.85 MMP13 (0.63) MMP13LMNAHPGDMAPTPTGER4
SCHEMBL6845458 0.83 THRB (0.45) MMP13MAPTPTGER4
SCHEMBL6843459 0.83 MMP13 (0.52) MMP13NR1H4
SCHEMBL6195092 0.83 MMP13 (0.74) MMP13LMNAHPGDPTGER4ROCK2
SCHEMBL6842501 0.83 NR1H4 (0.54) MMP13LMNAMAPTPTGER4NR1H4
SCHEMBL5334290 0.81 MMP13 (1.00) MMP13LMNAHPGDPTGER4ROCK2

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.