SCHEMBL2657478

SCHEMBL2657478

CC(C)(C)C1CCC(C(=O)O)(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
GLA P06280 1/20 0.36
LIPA P38571 1/20 0.35
ALDH1A1 P00352 6/20 0.35
ATM Q13315 2/20 0.35
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FFAR3 O14843 1/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL28858882 0.98 EPHX1 (0.36) EPHX1GLALIPAALDH1A1ATM
SCHEMBL1837143 0.80 FFAR3 (0.54) EPHX1GLALIPAALDH1A1ATM
SCHEMBL13446511 0.78 EPHX1 (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL29282866 0.78 EPHX1 (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL4601909 0.78 GRM4 (0.47) EPHX1GLAALDH1A1CYP2D6GAA
SCHEMBL4601083 0.78 GRM4 (0.47) EPHX1GLAALDH1A1CYP2D6GAA
SCHEMBL17041434 0.75 LIPA (0.35) EPHX1GLALIPAALDH1A1ATM
SCHEMBL13464471 0.75 HSD11B1 (0.36) EPHX1GLALIPAALDH1A1ATM
SCHEMBL3420703 0.73 CYP2C19 (0.38) EPHX1ALDH1A1FFAR3LMNACYP2C19
SCHEMBL9261087 0.72 CYP1A2 (0.46) EPHX1GLALIPAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085403-A Mg-P composite modified flame retardant, flame-retardant PMI foam and preparation method and application thereof 湖南博翔新材料有限公司 2024-05-28 CN claimed
CN-114874483-B PMI foam material and preparation method and application thereof 湖南博翔新材料有限公司 2023-08-29 CN claimed
CN-116462791-A Multifunctional polymethacrylimide foam material and preparation method and application thereof 湖南博翔新材料有限公司 2023-07-21 CN claimed
EP-4116367-B1 CRYSTAL NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN, AND POLYOLEFIN RESIN COMPOSITION INCLUDING SAID CRYSTAL NUCLEATING AGENT COMPOSITION NEW JAPAN CHEM CO LTD (JP) 2024-12-04 EP disclosed
CN-115210313-B Crystallization nucleating agent composition for polyolefin resin and polyolefin resin composition comprising the same 新日本理化株式会社 2024-05-24 CN disclosed
CN-114874483-B PMI foam material and preparation method and application thereof 湖南博翔新材料有限公司 2023-08-29 CN disclosed
CN-116462791-A Multifunctional polymethacrylimide foam material and preparation method and application thereof 湖南博翔新材料有限公司 2023-07-21 CN disclosed
US-20230183451-A1 CRYSTAL NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN, AND POLYOLEFIN RESIN COMPOSITION INCLUDING SAID CRYSTAL NUCLEATING AGENT COMPOSITION NEW JAPAN CHEMICAL CO., LTD. (JP) 2023-06-15 US disclosed
EP-4116367-A1 CRYSTAL NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN, AND POLYOLEFIN RESIN COMPOSITION INCLUDING SAID CRYSTAL NUCLEATING AGENT COMPOSITION New Japan Chemical Co., Ltd. (JP) 2023-01-11 EP disclosed
CN-115210313-A Crystal nucleating agent composition for polyolefin resin and polyolefin resin composition containing the same 新日本理化株式会社 2022-10-18 CN disclosed
CN-101029080-A Methods and compositions for derepression of IAP-inhibited caspase BURNHAM INST (US) 2007-09-05 CN disclosed
EP-1569915-A4 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use MERCK & CO., INC. 2006-06-01 US disclosed
EP-1569915-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-09-07 EP disclosed
CN-1615148-A Methods and compositions for derepression of IAP-inhibited caspase BURNHAM INST (US) 2005-05-11 CN disclosed
WO-2004050039-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-06-17 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-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use UTS2R, GLP1R, GCGR EPHX1 3048/4885GLA 651/4885LIPA 1299/4885

“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.