SCHEMBL23124802

SCHEMBL23124802

CC(C)(C)OC(=O)C(C)(C)Oc1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.41
USP30 Q70CQ3 1/20 0.37
DGAT1 O75907 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL23124788 0.82 FBP1 (0.41) AAK1PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL30093499 0.82 FBP1 (0.41) AAK1PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL21571685 0.80 PTGDR2 (0.40) AAK1PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL23124466 0.79 AAK1 (0.47) AAK1PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL25798391 0.79 AAK1 (0.35) AAK1DGAT1PTGDR2NPC1RAB9A
SCHEMBL23124792 0.77 FBP1 (0.41) AAK1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL22688970 0.77 HSD11B1 (0.44) USP30PTGDR2
SCHEMBL31085069 0.75 NOTUM (0.40) AAK1DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3988132 0.75 AAK1 (0.44) AAK1DGAT1PTGDR2NPC1RAB9A
SCHEMBL5727051 0.74 PPARA (0.45) NPC1RAB9ASMN1; SMN2RECQLMAPK1

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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
WO-2021055936-A1 SMALL-MOLECULE INHIBITORS FOR THE Β-CATENIN/B-CELL LYMPHOMA 9 PROTEIN−PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-25 WO 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 AAK1 3144/4885USP30 3152/4885DGAT1 2902/4885

“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.