SCHEMBL6843196

SCHEMBL6843196

CSc1ccc(COC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
LMNA P02545 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
TBXA2R P21731 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
PIM1 P11309 1/20 0.35
POLB P06746 1/20 0.35
NR4A2 P43354 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL6192360 0.88 LMNA (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6193256 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6192665 0.87 NR4A2 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6843380 0.86 NR4A2 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6843466 0.86 RXRA (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6842933 0.86 RXRA (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6192387 0.85 KMT2A (0.43) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL6842923 0.84 CA1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6843461 0.83 CA1 (0.50)
SCHEMBL6843227 0.83 CA1 (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 NPC1 267/4885RAB9A 976/4885SMN1; SMN2 462/4885

“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.