SCHEMBL814591

SCHEMBL814591

CC(=O)C=CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PADI4 Q9UM07 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 3/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL809692 1.00 CES2 (0.35) CES2CES1GRIN1GRIN2BPTPN2
SCHEMBL31356724 0.98 PTPN2 (0.35) CES2CES1GRIN1GRIN2BPTPN2
SCHEMBL10615509 0.93
SCHEMBL10615513 0.93
SCHEMBL319121 0.87
SCHEMBL319122 0.87
SCHEMBL13604712 0.85 CES2 (0.31) CES2CES1
SCHEMBL13604716 0.83 CES2 (0.30) CES2CES1
SCHEMBL28480462 0.82 GRIN1 (0.33) CES2CES1GRIN1GRIN2BPADI4
SCHEMBL761935 0.80 CES2 (0.38) CES2CES1GRIN1GRIN2BPADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528983-A Method for green catalytic synthesis of gamma-ketophosphine oxide by asymmetric alkylaluminum compound 北京理工大学 2025-02-28 CN disclosed
EP-3930849-B1 THIAZOLE DERIVATIVES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2025-02-19 EP disclosed
US-20250043211-A1 4-CYCLOHEXYLBUTAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2025-02-06 US disclosed
EP-4444838-A1 4-CYCLOHEXYLBUTAN-2-ONE AS A FRAGRANCE Symrise AG (DE) 2024-10-16 EP disclosed
US-12114681-B2 Fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-10-15 US disclosed
CN-118574918-A 4-Cyclohexylbutan-2-one as a fragrance 西姆莱斯股份公司 2024-08-30 CN disclosed
WO-2023104308-A1 4-CYCLOHEXYLBUTAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2023-06-15 WO disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
CN-113993587-A Thiazole derivatives as protein secretion inhibitors 科智生命科学公司 2022-01-28 CN disclosed
US-20210227864-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-29 US disclosed
EP-0195053-B1 PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1992-02-12 EP disclosed
EP-0124041-B2 PROCESS FOR THE PREPARATION OF DERIVATIVES OF CYCLOHEXANE DIONE BASF Aktiengesellschaft (DE) 1991-11-06 EP disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed
WO-1990003113-A1 ATTRACTANCE FOR DACUS LATIFRONS, THE MALAYSIAN FRUIT FLY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1990-04-05 WO disclosed
US-4877607-A CYCLOHEXYL AND CYCLOHEXENYL ALIPHATIC ALCOHOLS AND KETONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-10-31 US disclosed
EP-0195053-A1 PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR. CHEVRON RES & TECH (US) 1986-09-24 EP disclosed
WO-1986002065-A1 PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR CHEVRON RESEARCH COMPANY (US) 1986-04-10 WO disclosed
EP-0124041-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF CYCLOHEXANE DIONE BASF Aktiengesellschaft (DE) 1985-11-21 EP disclosed
EP-0124041-A1 Process for the preparation of derivatives of cyclohexane dione BASF Aktiengesellschaft (DE) 1984-11-07 EP 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CES2 3680/4885CES1 1087/4885GRIN1 4018/4885

“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.