SCHEMBL14010568

SCHEMBL14010568

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(Cc2cc(N)ccc2OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ VEGFA P15692 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL13333662 0.86 VEGFA (0.48) NR1H2VEGFAEGLN1MGLLALDH1A1
SCHEMBL17152793 0.85 MTNR1B (0.44) ACHENR1H2VEGFAEGLN1DRD2
SCHEMBL17154922 0.84 ACHE (0.39) ACHERAD52GFERNR1H2VEGFA
SCHEMBL9883952 0.82 ALDH1A1 (0.48) TACR1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9610831 0.81 LMNA (0.53) VEGFAEGLN1DRD2DRD4ALDH1A1
SCHEMBL12732683 0.81 LMNA (0.53) VEGFAEGLN1DRD2DRD4ALDH1A1
SCHEMBL17153216 0.81 ACHE (0.37) ACHERAD52GFERNR1H2VEGFA
SCHEMBL17153222 0.81 ACHE (0.37) ACHERAD52GFERNR1H2VEGFA
SCHEMBL17152957 0.77 ALDH1A1 (0.42) DRD2DRD4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13558227 0.76 ALDH1A1 (0.42) TACR1ALDH1A1MAPTSMN1; SMN2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279768-A1 Bifunctional Metal Chelating Conjugates MALLINCKRODT LLC 2008-11-13 — — US disclosed
US-20080279768-A1 Bifunctional Metal Chelating Conjugates MALLINCKRODT LLC 2008-11-13 — — 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-20080279768-A1 Bifunctional Metal Chelating Conjugates SLC30A5, SLC39A3, SLC30A6 ACHE 2560/4885RAD52 1128/4885GFER 2377/4885

“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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