SCHEMBL13091108

SCHEMBL13091108

CC(C)(C)OC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccc(C(=O)NC3CCCCC3)cc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.72
▸ TP53 P04637 8/20 0.71
▸ POLB P06746 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.55
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13091113 0.90 MAPT (0.75) MAPTTP53POLBALDH1A1NPC1
SCHEMBL13091089 0.84 MAPT (1.00) MAPTTP53POLBSMN1; SMN2GAA
SCHEMBL13091153 0.83 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091084 0.83 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091085 0.83 TP53 (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091034 0.83 TP53 (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091022 0.83 TP53 (0.89) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091090 0.82 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091117 0.82 MAPT (0.86) MAPTTP53POLB
SCHEMBL13091082 0.82 MAPT (1.00) MAPTTP53POLBSMN1; SMN2

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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD MAPT 2663/4885TP53 34/4885POLB 2440/4885

“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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