SCHEMBL418068

SCHEMBL418068

COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL9308973 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL8246813 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL13198671 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL418070 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL3739039 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL5823247 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL417370 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL5768836 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL418463 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL19730192 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710538-A Self-emulsifying cleaning material and preparation method and application thereof 国网上海市电力公司 2023-02-24 CN claimed
CN-119331130-B Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油天然气股份有限公司 2026-05-15 CN disclosed
CN-119331130-A Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油天然气股份有限公司 2025-01-21 CN disclosed
CN-118063652-A Process for producing propylene copolymers using catalyst systems with improved copolymerization activity 韩华道达尔能源有限公司 2024-05-24 CN disclosed
CN-115710538-B Self-emulsifying cleaning material and preparation method and application thereof 国网上海市电力公司 2024-01-19 CN disclosed
CN-115710538-A Self-emulsifying cleaning material and preparation method and application thereof 国网上海市电力公司 2023-02-24 CN disclosed
CN-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
EP-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
CN-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-08-21 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-20070154882-A1 Beta-polypeptides that inhibit cytomegalovirus infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070154882-A1 Beta-polypeptides that inhibit cytomegalovirus infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 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
US-5274119-A Vicinal diols THE DOW CHEMICAL COMPANY (US) 1993-12-28 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 (3 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-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ GAA 3215/4885NPSR1 1818/4885POLB 1051/4885
US-20030211999-A1 Polypeptides containing gamma-amino acids PEPD, DNPEP, ANPEP GAA 790/4885NPSR1 515/4885POLB 982/4885
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines FUT6, ENGASE, FUT5 GAA 131/4885NPSR1 1716/4885POLB 3648/4885

“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.