SCHEMBL6843068

SCHEMBL6843068

COc1cc(COC(=O)c2ccc3cc(O)c(C(O)c4ccc(C(=O)O)cc4)cc3c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.38
CYP26A1 O43174 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 4/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
MMP13 P45452 1/20 0.33
LOX P28300 2/20 0.33
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
KDM4E B2RXH2 1/20 0.33
JMJD6 Q6NYC1 1/20 0.32
MAOB P27338 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
SCHEMBL6845498 0.86 MAPT (0.41) CYP26A1CYP3A4RXRARXRBNPC1
SCHEMBL6212000 0.85 NPC1 (0.46) RXRARXRBNPC1POLBRAB9A
SCHEMBL6842617 0.85 MMP13 (0.44) LOXL2MMP13LOX
SCHEMBL6845397 0.84 THRB (0.44) MMP13RAB9ASMN1; SMN2KDM4EMAOB
SCHEMBL6843321 0.84 MAPT (0.40) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL6195792 0.83 LMNA (0.47) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6211286 0.83 LOXL2 (0.40) LOXL2RXRARXRBMMP13LOX
SCHEMBL6843399 0.81 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6843368 0.80 RXRA (0.44) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL6843441 0.80 RXRA (0.44) RXRARXRBNPC1RAB9ASMN1; 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 LOXL2 1024/4885CYP26A1 987/4885CYP3A4 1935/4885

“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.