SCHEMBL23124792

SCHEMBL23124792

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.41
PPARA Q07869 6/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
ABCB11 O95342 2/20 0.39
HTR2A P28223 2/20 0.39
PMP22 Q01453 2/20 0.39
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
PPARG P37231 4/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB3 P13945 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
SCHEMBL16585114 0.83 PPARA (0.56) PPARACYP1A2CYP3A4TSHRMEN1
SCHEMBL16585195 0.83 PPARA (0.61) FBP1PPARACYP1A2CYP3A4TSHR
SCHEMBL31357584 0.83 PPARA (0.61) FBP1PPARACYP1A2CYP3A4TSHR
SCHEMBL31258385 0.82 PPARA (0.42) FBP1PPARACYP1A2CYP3A4TSHR
SCHEMBL16585155 0.82 PPARA (0.39) FBP1PPARACYP1A2CYP3A4TSHR
SCHEMBL16584965 0.79 KIF11 (0.39) CYP1A2TSHRCYP2C19CYP2D6LMNA
SCHEMBL5727051 0.78 PPARA (0.45) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL23124802 0.77 AAK1 (0.41) MAPK1SMN1; SMN2AAK1ALDH1A1
SCHEMBL16585185 0.76 IDO1 (0.41) AAK1IDO1
SCHEMBL4576129 0.76 CYP1A2 (0.41) FBP1PPARACYP1A2CYP3A4TSHR

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 FBP1 1885/4885PPARA 3617/4885CYP1A2 4372/4885

“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.