SCHEMBL2355209

SCHEMBL2355209

CCC/C=C/C(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
IAPP P10997 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR3 O14843 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2355215 1.00 PPARG (0.50) PPARGPPARATAS1R3TAS1R1IAPP
SCHEMBL17705173 0.92 PPARG (0.52) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL4952427 0.86 PPARG (0.61) PPARGPPARAKDM4E
SCHEMBL4544178 0.86 PPARG (0.47) PPARGPPARAIAPPCES2CES1
SCHEMBL16177712 0.86 PPARG (0.61) PPARGPPARATAS1R3TAS1R1IAPP
SCHEMBL27966758 0.86 PPARG (0.47) PPARGPPARATAS1R3TAS1R1TRPA1
SCHEMBL16177715 0.86 PPARG (0.61) PPARGPPARATAS1R3TAS1R1IAPP
SCHEMBL4544180 0.86 PPARG (0.47) PPARGPPARAIAPPCES2CES1
SCHEMBL4422070 0.84 PPARG (0.70) PPARGPPARAKDM4E
SCHEMBL4422072 0.84 PPARG (0.70) PPARGPPARAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161235-A Preparation method of ethyl linalool 福建瑞昕商贸有限公司 2024-12-20 CN claimed
CN-114933518-B Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2023-11-28 CN claimed
CN-114933518-A Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2022-08-23 CN claimed
EP-0146103-B1 USE OF 5-METHYL-2-HEPTEN-4-ONE AS A PERFUMING OR FLAVOURING AGENT, AND PERFUMING AND/OR FLAVOURING COMPOSITIONS CONTAINING THE SAME HAARMANN & REIMER GMBH (DE) 1987-08-05 EP claimed
CN-119161235-A Preparation method of ethyl linalool 福建瑞昕商贸有限公司 2024-12-20 CN disclosed
CN-114933518-B Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2023-11-28 CN disclosed
CN-114933518-B Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2023-11-28 CN disclosed
CN-114933518-A Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2022-08-23 CN disclosed
CN-114933518-A Synthesis method of ethyl heptenone and application of heteropoly acid catalyst 山东新和成药业有限公司 2022-08-23 CN disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
US-20170335355-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID KYOTO UNIVERSITY (JP) 2017-11-23 US disclosed
US-20170335355-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID KYOTO UNIVERSITY (JP) 2017-11-23 US disclosed
WO-2007121826-A1 TRANSPORT OF ETHYNE IN FORM OF α-ALKYNOLS AS ETHYNE PRECURSORS DSM IP ASSETS B.V. (NL) 2007-11-01 WO disclosed
WO-2007080103-A2 PROCESS FOR THE PREPARATION OF ALKYNEDIOLS DSM IP ASSETS B.V. (NL) 2007-07-19 WO disclosed
EP-1808426-A1 Process for the preparation of alkynediols DSMIP Assets B.V. (NL) 2007-07-18 EP disclosed
WO-2007039245-A1 CLEAVAGE OF ALKYNEDIOLS DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
EP-1638913-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2006-03-29 EP disclosed
US-6960694-B2 Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones EASTMAN CHEMICAL COMPANY (US) 2005-11-01 US disclosed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO disclosed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 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 (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-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EBP, CYP8B1, BCKDK PPARG 776/4885PPARA 341/4885TAS1R3 2302/4885

“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.