SCHEMBL7201608

SCHEMBL7201608

COc1cc(OCC(C)C)cc(CCC(=O)c2cccc(OCC(C)C)c2OCC(C)C)c1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
FOS P01100 2/20 0.42
JUN P05412 2/20 0.42
ABCB1 P08183 9/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
PDE4B Q07343 1/20 0.36

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
SCHEMBL7193702 0.93 NPC1 (0.48) NPC1PKMRAB9AFOSJUN
SCHEMBL7195014 0.89 NPC1 (0.40) NPC1PKMRAB9AFOSJUN
SCHEMBL7197674 0.86 FOS (0.54) NPC1PKMRAB9AFOSJUN
SCHEMBL7191896 0.85 FOS (0.43) NPC1PKMRAB9AFOSJUN
SCHEMBL7195073 0.84 FOS (0.53) FOSJUNABCB1
SCHEMBL7196642 0.84 NPC1 (0.45) NPC1PKMRAB9A
SCHEMBL7198863 0.82 FOS (0.40) NPC1PKMRAB9AFOSJUN
SCHEMBL7191795 0.82 NPC1 (0.43) NPC1PKMRAB9A
SCHEMBL7196658 0.81 THRA (0.46) NPC1PKMRAB9A
SCHEMBL7198353 0.80 THRA (0.47) NPC1PKMRAB9A

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 NPC1 3105/4885PKM 749/4885RAB9A 3774/4885

“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.