SCHEMBL233191

SCHEMBL233191

CC(=O)CCC(C)=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.53
SLC15A2 Q16348 1/20 0.53
TDP1 Q9NUW8 2/20 0.39
PAOX Q6QHF9 4/20 0.38
ACHE P22303 1/20 0.38
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9051136 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10001 0.82
SCHEMBL6801343 0.78
SCHEMBL6669487 0.78
SCHEMBL11615492 0.78
SCHEMBL1781254 0.75 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2TDP1PAOX
SCHEMBL14415269 0.75 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2TDP1PAOX
SCHEMBL1781253 0.75 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2TDP1PAOX
Formaldehyde SCHEMBL2873057 0.74 ALDH1A1 (0.83) ALDH1A1LMNASLC15A2TDP1PAOX
SCHEMBL2439884 0.72 ALDH1A1 (0.77) ALDH1A1LMNASLC15A2TDP1PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117550962-B Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2025-02-18 CN claimed
CN-117550962-A Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2024-02-13 CN claimed
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP claimed
EP-2904078-B1 FLAVOR AND FRAGRANCE FORMULATION (VI) DSM IP ASSETS BV (NL) 2018-01-03 EP claimed
US-9434676-B2 Flavor and fragrance formulation (VI) DSM IP ASSETS B.V. (NL) 2016-09-06 US claimed
US-20150291505-A1 FLAVOR AND FRAGRANCE FORMULATION (VI) DSM IP ASSETS B.V. (NL) 2015-10-15 US claimed
EP-2904078-A1 FLAVOR AND FRAGRANCE FORMULATION (VI) DSM IP Assets B.V. (NL) 2015-08-12 EP claimed
WO-2014056853-A1 FLAVOR AND FRAGRANCE FORMULATION (VI) DSM IP ASSETS B.V. (NL) 2014-04-17 WO claimed
CN-117550962-B Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2025-02-18 CN disclosed
CN-117550962-B Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2025-02-18 CN disclosed
CN-117550962-B Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2025-02-18 CN disclosed
CN-117550962-A Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2024-02-13 CN disclosed
CN-117550962-A Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2024-02-13 CN disclosed
CN-117550962-A Preparation method of 5, 6-dimethyl-5-hepten-2-one 万华化学集团股份有限公司 2024-02-13 CN disclosed
WO-2010044031-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT FIRMENICH SA (CH) 2010-04-22 WO disclosed
US-4226892-A Flavoring with cycloaliphatic unsaturated ketones FIRMENICH SA (CH) 1980-10-07 US disclosed
US-4187863-A Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products FIRMENICH SA (CH) 1980-02-12 US disclosed
US-3975446-A FROM UNSATURATED ALCOHOL, TERTIARY AMINE SHINETSU CHEMICAL COMPANY (JA) 1976-08-17 US disclosed
US-3975310-A PERFUME FIRMENICH S.A. (CH) 1976-08-17 US disclosed
US-3931326-A FLAVOR, TASTE, ODOR, PERFUMES FIRMENICH SA (CH) 1976-01-06 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-20150291505-A1 FLAVOR AND FRAGRANCE FORMULATION (VI) TAS2R5, NISCH, F5 ALDH1A1 83/4885LMNA 3772/4885SLC15A2 3382/4885

“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.