SCHEMBL4576129

SCHEMBL4576129

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.40
FBP1 P09467 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30609812 1.00 CYP1A2 (0.41) CYP1A2MAPTGAARECQLPPARA
SCHEMBL2916587 0.86 CYP1A2 (0.49) CYP1A2MAPTGAARECQLPPARA
SCHEMBL31227691 0.82 PPARA (0.54) CYP1A2MAPTGAARECQLPPARA
SCHEMBL3841972 0.82 PPARA (0.54) CYP1A2MAPTGAARECQLPPARA
SCHEMBL421202 0.82 PPARA (0.61) CYP1A2MAPTPPARAPPARGALDH1A1
SCHEMBL31357666 0.82 PPARA (0.61) CYP1A2MAPTPPARAPPARGALDH1A1
SCHEMBL14943944 0.81 CYP3A4 (0.44) CYP1A2MAPTPPARAPPARGALDH1A1
SCHEMBL5727051 0.80 PPARA (0.45) CYP1A2MAPTRECQLPPARAPPARG
SCHEMBL2436622 0.80 AKR1C3 (0.50) PPARAPPARGKDM4EKMT2ACYP2C9
SCHEMBL18804484 0.80 PPARA (0.46) CYP1A2MAPTPPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019371-A1 SMALL-MOLECULAR INHIBITORS FOR THE BETA-CATENIN/ B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2025-01-16 US disclosed
US-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 US disclosed
CN-116891454-A Small molecule inhibitor, preparation method and application thereof in preparation of anticancer drugs 山东省药学科学院 2023-10-17 CN disclosed
WO-2023077057-A1 SMALL-MOLECULAR INHIBITORS FOR THE BETA-CATENIN/ B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-04 WO disclosed
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
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (4 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 CYP1A2 4251/4885MAPT 2871/4885GAA 3767/4885
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 CYP1A2 4372/4885MAPT 3852/4885GAA 4091/4885
US-20050137212-A1 Hppars activators PPARG, PPARA, PPARD CYP1A2 668/4885MAPT 3860/4885GAA 427/4885
US-20250019371-A1 SMALL-MOLECULAR INHIBITORS FOR THE BETA-CATENIN/ B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 CYP1A2 4666/4885MAPT 3934/4885GAA 3528/4885

“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.