SCHEMBL6843351

SCHEMBL6843351

COc1cc(COC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)cc3c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
MMP13 P45452 1/20 0.39
CYSLTR1 Q9Y271 2/20 0.38
LOX P28300 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
SRD5A2 P31213 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
RXRA P19793 1/20 0.36
FFAR1 O14842 1/20 0.36
PKM P14618 1/20 0.35
MAOB P27338 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35

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
SCHEMBL6211286 0.87 LOXL2 (0.40) GRM2LOXL2MMP13LOXNPC1
SCHEMBL6845187 0.83 KMT2A (0.48) CYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6843390 0.83 MMP13 (0.40) GRM2LOXL2MMP13
SCHEMBL6194250 0.82 NR1H4 (0.52) LOXL2MMP13LOX
SCHEMBL6194502 0.82 RAB9A (0.54) NPC1RAB9ASMN1; SMN2POLBSRD5A2
SCHEMBL6193636 0.82 SRD5A2 (0.54) NPC1RAB9ASMN1; SMN2SRD5A2RXRA
SCHEMBL6843067 0.82 MMP13 (0.39) GRM2LOXL2MMP13LOXNPC1
SCHEMBL6197424 0.81 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL6194064 0.81 THRB (0.48) MMP13RAB9ASMN1; SMN2SRD5A2PKM
SCHEMBL6195895 0.80 KMT2A (0.53) CYSLTR1NPC1RAB9ASMN1; SMN2SRD5A2

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 GRM2 4588/4885LOXL2 1024/4885MMP13 3/4885

“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.