SCHEMBL6842471

SCHEMBL6842471

COc1ccc(CNC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.54
NR1H4 Q96RI1 5/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 4/20 0.47
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
PTPN5 P54829 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER4 P35408 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6842678 0.91 MMP13 (0.65) MMP13NR1H4RAB9APTGER4CYP3A4
SCHEMBL6843413 0.89 NR1H4 (0.52) MMP13NR1H4NPC1RAB9AEPHX2
SCHEMBL6842635 0.89 NR1H4 (0.59) MMP13NR1H4KMT2AEPHX2MEN1
SCHEMBL6838326 0.87 EPHX2 (0.50) NR1H4EPHX2ALDH1A1SMN1; SMN2PTGER4
SCHEMBL6845318 0.87 NR1H4 (0.51) MMP13NR1H4EPHX2L3MBTL1PTGER4
SCHEMBL6843478 0.87 EPHX2 (0.52) NR1H4RAB9AKMT2AEPHX2MEN1
SCHEMBL6843325 0.87 NR1H4 (0.51) MMP13NR1H4KMT2AEPHX2MEN1
SCHEMBL6843206 0.87 NR1H4 (0.51) MMP13NR1H4EPHX2HDAC1ALDH1A1
SCHEMBL6845364 0.86 NR1H4 (0.50) MMP13NR1H4EPHX2SMN1; SMN2CYP3A4
SCHEMBL6838118 0.86 MMP13 (0.55) MMP13NR1H4NPC1RAB9AKMT2A

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 3/4885NR1H4 1615/4885NPC1 267/4885

“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.