SCHEMBL31258385

SCHEMBL31258385

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
ABCB11 O95342 2/20 0.42
HTR2A P28223 2/20 0.42
PMP22 Q01453 2/20 0.42
FBP1 P09467 4/20 0.41
MAPT P10636 3/20 0.41
CYP2C19 P33261 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 3/20 0.38
CYP2C9 P11712 3/20 0.38
PPARG P37231 2/20 0.38
BLM P54132 2/20 0.38
USP2 O75604 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL23124792 0.82 FBP1 (0.41) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL23903398 0.78 PPARA (0.66) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL5727051 0.78 PPARA (0.45) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL30093499 0.77 FBP1 (0.41) TSHRFBP1MAPTMEN1KMT2A
SCHEMBL23124788 0.77 FBP1 (0.41) TSHRFBP1MAPTMEN1KMT2A
SCHEMBL31258404 0.76 FFAR4 (0.42) PPARACYP1A2CYP3A4TSHRABCB11
SCHEMBL30609812 0.76 CYP1A2 (0.41) PPARACYP1A2CYP3A4TSHRFBP1
SCHEMBL4576129 0.76 CYP1A2 (0.41) PPARACYP1A2CYP3A4TSHRFBP1
SCHEMBL22396821 0.75 MCL1 (0.46) MAPTCYP2C19MEN1KMT2ALMNA
SCHEMBL23124988 0.75 PPARA (0.40) PPARACYP1A2CYP3A4TSHRABCB11

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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 PPARA 2534/4885CYP1A2 4251/4885CYP3A4 3586/4885

“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.