SCHEMBL6843067

SCHEMBL6843067

COc1cc(COC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)c(O)c3c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
GRM2 Q14416 1/20 0.35
PTPN5 P54829 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOX P28300 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
LCK P06239 1/20 0.33
FFAR1 O14842 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
SCHEMBL6843390 0.87 MMP13 (0.40) MMP13LOXL2GRM2
SCHEMBL6845496 0.86 MAPT (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL6211990 0.85 PTPN5 (0.47) PTPN5NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6842615 0.85 MMP13 (0.51) MMP13LOXL2LOX
SCHEMBL6843319 0.85 SRD5A2 (0.43) PTPN5NPC1RAB9A
SCHEMBL6845395 0.83 THRB (0.44) MMP13PTPN5SMN1; SMN2
SCHEMBL6211286 0.83 LOXL2 (0.40) MMP13LOXL2GRM2NPC1POLB
SCHEMBL6195785 0.82 LMNA (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL6843351 0.82 GRM2 (0.41) MMP13LOXL2GRM2NPC1POLB
SCHEMBL6838144 0.81 NR4A2 (0.43) NPC1RAB9A

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 3/4885LOXL2 1024/4885GRM2 4588/4885

“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.