SCHEMBL6845397

SCHEMBL6845397

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
TAS2R14 Q9NYV8 4/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKCZ Q05513 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL6212000 0.89 NPC1 (0.46) TAS2R14KDM4EALDH1A1MAPTMAOB
SCHEMBL6195792 0.89 LMNA (0.47) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6195359 0.88 THRB (0.46) THRBMRGPRX4MMP1MMP2MMP9
SCHEMBL6843068 0.84 LOXL2 (0.38) MMP13KDM4EMAOBRAB9ASMN1; SMN2
SCHEMBL6843321 0.84 MAPT (0.40) ALDH1A1MAPTMAOBRAB9ASMN1; SMN2
SCHEMBL6842679 0.84 MMP13 (0.62) MMP13MAPTMAOARAB9APTGER4
SCHEMBL6843399 0.83 KMT2A (0.45) MRGPRX4KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL6843441 0.82 RXRA (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL6845498 0.82 MAPT (0.41) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6838146 0.82 NR4A2 (0.44) MRGPRX4ALDH1A1MAPTRAB9ASMN1; SMN2

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 THRB 4700/4885MRGPRX4 3792/4885MMP1 7/4885

“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.