SCHEMBL111669

SCHEMBL111669

CC(CO)CCC1CCC(C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL20607558 1.00 TSHR (0.34) TSHR
SCHEMBL21456884 0.88
SCHEMBL23086230 0.84
SCHEMBL4954093 0.79 ALDH1A1 (0.37)
SCHEMBL20607559 0.79
SCHEMBL113205 0.79
SCHEMBL2424948 0.77 TSHR (0.32) TSHR
SCHEMBL2427537 0.77
SCHEMBL4485803 0.77
SCHEMBL21333566 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US disclosed
EP-3532018-B1 USE OF 1-[(4R)-4-METHYLCYCLOHEXEN-1-YL]ETHANONE AS AN AROMA CHEMICAL BASF SE (DE) 2024-07-17 EP disclosed
EP-4214211-B1 SECO-AMBRAKETALS SYMRISE AG (DE) 2024-07-10 EP disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-4393581-A2 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-07-03 EP disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
US-12023640-B2 Aqueous dispersion of microcapsules, and uses thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-07-02 US disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US disclosed
EP-4387950-A1 USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT BASF SE (DE) 2024-06-26 EP disclosed
US-20020077258-A1 Multiphase soaps HAARMANN & REIMER GMBH (DE) 2002-06-20 US disclosed
EP-1215189-A1 Process for the preparation of isolongifolanol HAARMANN & REIMER GMBH (DE) 2002-06-19 EP disclosed
US-20020055453-A1 Novel macrocyclic ketones SYMRISE GMBH & CO. KG (DE) 2002-05-09 US disclosed
WO-2002024857-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2002-03-28 WO disclosed
WO-2002019983-A2 CLEANSING/CONDITIONING AGENTS CONTAINING MATRIX PARTICLES WITH A PERFUME COMPONENT AND A WASHING-ACTIVE COMPONENT HAARMANN & REIMER GMBH (DE) 2002-03-14 WO disclosed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
WO-2001023373-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2001-04-05 WO disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 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 (4 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-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 TSHR 4800/4885
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH TSHR 4797/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TSHR 4578/4885
US-20020055453-A1 Novel macrocyclic ketones FASN, KCNK5, NOTUM TSHR 4568/4885

“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.