SCHEMBL6844668

SCHEMBL6844668

COc1ccc(COC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
PLA2G4B P0C869 1/20 0.45
PTPN5 P54829 1/20 0.44
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
SCHEMBL6845458 0.90 THRB (0.45) MAPTKDM4EALDH1A1
SCHEMBL6843418 0.89 SRD5A2 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6843224 0.89 LMNA (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6844631 0.87 RXRA (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6845385 0.87 RXRA (0.45) NPC1RAB9AMEN1KMT2ARXRA
SCHEMBL6843050 0.87 MAPT (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6844736 0.87 NR4A2 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6838251 0.86 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL7104741 0.86 KMT2A (0.43) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL6843382 0.85 MAPT (0.40) NPC1RAB9AMAPTCA1CA2

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.