SCHEMBL316713

SCHEMBL316713

CC(=O)CCCCCCCCCCCCC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.72
ALDH1A1 P00352 4/20 0.64
ACHE P22303 1/20 0.55
LMNA P02545 2/20 0.50
SLC15A2 Q16348 1/20 0.50
TSHR P16473 4/20 0.47
NFKB1 P19838 1/20 0.47
PMP22 Q01453 1/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
TDP1 Q9NUW8 3/20 0.44
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
GPR84 Q9NQS5 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12686704 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL14749721 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL11435600 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL16723870 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL3626142 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL11375880 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL2775487 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL8421741 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL21818217 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL14725979 1.00 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377411-B2 Method for producing 3-methylcycloalkenone compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-07-05 US claimed
US-20220033336-A1 METHOD FOR PRODUCING 3-METHYLCYCLOALKENONE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-03 US claimed
CN-108191622-B Continuous preparation method of DL-muscone 广东省石油与精细化工研究院 2021-02-09 CN claimed
WO-2020067079-A1 METHOD FOR PRODUCING 3-METHYLCYCLOALKENONE COMPOUND 高砂香料工業株式会社 2020-04-02 WO claimed
EP-2412696-A1 PROCESS FOR PRODUCTION OF 3-METHYL-CYCLOPENTADECENONE, PROCESS FOR PRODUCTION OF R/S-MUSCONE, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE MUSCONE Doya, Masaharu (JP) 2012-02-01 EP claimed
US-20110172465-A1 METHOD FOR PRODUCING 3-METHYL-CYCLOPENTADECENONES, METHOD FOR PRODUCING (R)- AND (S)- MUSCONE, AND METHOD FOR PRODUCING OPTICALLY ACTIVE MUSCONE DOYA MASAHARU 2011-07-14 US claimed
EP-1156029-B1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AG (DE) 2003-06-18 EP claimed
US-6515154-B2 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 US claimed
US-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-12-27 US claimed
EP-1156029-A1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-11-21 EP claimed
EP-1102736-A2 PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES QUEST INTERNATIONAL B.V. (NL) 2001-05-30 EP claimed
EP-0976714-A1 Addition of ketones to alkenes QUEST INTERNATIONAL B.V. (NL) 2000-02-02 EP claimed
WO-2000001648-A2 PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO claimed
JP-59157047-A None JP disclosed
JP-55085536-A None JP disclosed
JP-59199650-A None JP disclosed
EP-0400509-A1 Process for the production of muscone, intermediates for this process and their preparation BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed
JP-S59199650-A PRODUCTION OF LONG-CHAIN DIKETONE NIPPON MINING CO LTD 1984-11-12 JP disclosed
JP-S59157047-A PREPARATION OF DEHYDROMUSCONE NIPPON MINING CO LTD 1984-09-06 JP disclosed
JP-S5585536-A PREPARATION OF 3-METHYL-2-CYCLOPENTADECEN-1-ONE NIPPON ZEON CO LTD 1980-06-27 JP 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-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use ACMSD, MLYCD, HADHB PAOX 277/4885ALDH1A1 20/4885ACHE 1565/4885
US-11377411-B2 Method for producing 3-methylcycloalkenone compound MSMO1, CYP51A1, HSD17B7 PAOX 2815/4885ALDH1A1 1554/4885ACHE 1102/4885
US-20220033336-A1 METHOD FOR PRODUCING 3-METHYLCYCLOALKENONE COMPOUND MSMO1, CYP51A1, HSD17B7 PAOX 2815/4885ALDH1A1 1554/4885ACHE 1102/4885

“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.