SCHEMBL29450732

SCHEMBL29450732

COc1ccc(C(OCCOCCOCCOCCN(C)C(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SLC6A1 P30531 2/20 0.41
▸ SLC6A11 P48066 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL29450733 1.00 L3MBTL1 (0.41) L3MBTL1SLC6A1SLC6A11ACHERAB9A
SCHEMBL23777353 0.86 SLC6A11 (0.48) SLC6A1SLC6A11ACHEMAPK1MEN1
SCHEMBL29450730 0.80 LMNA (0.62) L3MBTL1SLC6A1SLC6A11ACHERAB9A
SCHEMBL25937677 0.77 ALDH1A1 (0.45) L3MBTL1MAPK1KMT2ASIGMAR1
SCHEMBL25937667 0.77 ALDH1A1 (0.45) L3MBTL1MAPK1KMT2ASIGMAR1
SCHEMBL24294060 0.77 ALDH1A1 (0.45) L3MBTL1MAPK1KMT2ASIGMAR1
SCHEMBL30011087 0.77 ALDH1A1 (0.45) L3MBTL1MAPK1
SCHEMBL28628138 0.76 SLC6A11 (0.47) SLC6A1SLC6A11MEN1KMT2A
SCHEMBL30980726 0.76 HDAC1 (0.44) L3MBTL1MAPK1KMT2A
SCHEMBL25937665 0.76 ALDH1A1 (0.44) L3MBTL1MAPK1KMT2ASIGMAR1

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-20220062323-A1 BIVALENT TARGETED CONJUGATES ARBUTUS BIOPHARMA CORPORATION (CA) 2022-03-03 — — 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-20220062323-A1 BIVALENT TARGETED CONJUGATES ERBB2, PCNA, MRE11 L3MBTL1 623/4885SLC6A1 4189/4885SLC6A11 4349/4885

“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.

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