SCHEMBL418071

SCHEMBL418071

COC(=O)C1(C(=O)O)C=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL9468144 0.91 NPSR1 (0.42) NPSR1CYP3A4MEN1KMT2ATSHR
SCHEMBL28313838 0.89 NPSR1 (0.33) NPSR1CYP3A4MEN1KMT2ATSHR
SCHEMBL2152795 0.85
SCHEMBL203079 0.82 AKR1C1 (0.30)
SCHEMBL27842294 0.81
Acetic Acid SCHEMBL27533339 0.81 CYP3A4 (0.32) CYP3A4
Bromide SCHEMBL689745 0.81
Hydrochloric Acid SCHEMBL689891 0.81
Propane SCHEMBL1984333 0.79 FFAR3 (0.30)
SCHEMBL27836840 0.79 TSHR (0.35) NPSR1CYP3A4MEN1KMT2ATSHR

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710710-A Method for producing propylene polymer 住友化学株式会社 2021-11-26 CN disclosed
CN-108658762-B Synthesis method of alicyclic o-diester 浙江凯普化工有限公司 2021-03-02 CN disclosed
CN-108083978-B Process and apparatus for the preparation of cyclohexanedimethanol 万华化学集团股份有限公司 2021-01-29 CN disclosed
CN-110382574-A Heterophasic propylene polymeric material and Propenes resin composition 住友化学株式会社 2019-10-25 CN disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
CN-109563324-A Heterophasic propylene polymeric material 住友化学株式会社 2019-04-02 CN disclosed
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
CN-108083978-A The preparation process and device of cyclohexanedimethanol 万华化学集团股份有限公司 2018-05-29 CN disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
CN-107011339-A Method and intermediate for the macrocyclic protease inhibitor for preparing HCV 杨森制药公司 2017-08-04 CN disclosed
EP-2758386-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2014-07-30 EP disclosed
WO-2013041655-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2013-03-28 WO disclosed
EP-2547645-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-23 EP disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
WO-2011113859-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-09-22 WO disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-6958384-B2 Polypeptides containing γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-10-25 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
US-20030211999-A1 Polypeptides containing gamma-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-11-13 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 (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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 NPSR1 3070/4885CYP3A4 4528/4885MEN1 2908/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ NPSR1 3184/4885CYP3A4 4492/4885MEN1 2992/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 NPSR1 251/4885CYP3A4 227/4885MEN1 3500/4885
US-20030211999-A1 Polypeptides containing gamma-amino acids PEPD, DNPEP, ANPEP NPSR1 515/4885CYP3A4 4557/4885MEN1 1877/4885

“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.