SCHEMBL273058

SCHEMBL273058

C=CCC(OCCC(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
CPA1 P15085 1/20 0.33
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
Glycolic Acid SCHEMBL31039842 0.94 TDP1 (0.39) TDP1GRIK1GRIK2MAPK1
SCHEMBL2363080 0.80 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL28237464 0.77 TSHR (0.41) TDP1TSHRALDH1A1
SCHEMBL7073739 0.77 PPARA (0.42) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7076509 0.74 MAPK1 (0.35) TDP1MAPK1BLMALDH1A1GAA
SCHEMBL1471547 0.74 MAPT (0.35) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL28575140 0.73 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL28010130 0.73 GRIK1 (0.37) TDP1GRIK1GRIK2CYP2C19CPA1
SCHEMBL14780782 0.72
SCHEMBL11034749 0.72 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597895-B2 Aromatic substance mixtures containing 8,8-dimethyl-6,10-dioxaspiro[4,5]decane SYMRISE AG (DE) 2023-03-07 US claimed
EP-3206660-B1 MALODOR REDUCING COMPOSITIONS GIVAUDAN SA (CH) 2021-03-31 EP claimed
EP-3723709-B1 PERFUME MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2021-03-31 EP claimed
US-20210087500-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2021-03-25 US claimed
US-10918579-B2 Density balanced high impact perfume microcapsules FIRMENICH SA (CH) 2021-02-16 US claimed
EP-3723709-A1 PERFUME MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE Symrise AG (DE) 2020-10-21 EP claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
WO-2019114969-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2019-06-20 WO claimed
EP-3423028-A1 METHOD FOR THE PRODUCTION OF SCENT CAPSULES WITH IMPROVED SURFACTANT STABLITY Symrise AG (DE) 2019-01-09 EP claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-8034761-B2 Jasmone, peach fragrance SYMRISE AG (DE) 2011-10-11 US claimed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
EP-4192614-B1 PROCESS FOR THE PREPARATION OF MICROCAPSULES SYMRISE AG (DE) 2026-05-06 EP disclosed
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon SYMRISE AG (DE) 2026-03-17 US disclosed
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
WO-2002012157-A1 NOVEL MACROCYCLIC KETONES HAARMANN & REIMER GMBH (DE) 2002-02-14 WO 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-2001038440-A1 WAX FORMULATIONS CONTAINING ODORIFEROUS SUBSTANCES HAARMANN & REIMER GMBH (DE) 2001-05-31 WO 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-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon ALG3, FAAH, FAAH2 TDP1 3880/4885GRIK1 1156/4885GRIK2 1877/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A TDP1 2665/4885GRIK1 2546/4885GRIK2 2696/4885
US-11597895-B2 Aromatic substance mixtures containing 8,8-dimethyl-6,10-dioxaspiro[4,5]decane TAS2R8, TRPM8, DHPS TDP1 3938/4885GRIK1 1826/4885GRIK2 2278/4885
US-20210087500-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE TAS2R8, TRPM8, DHPS TDP1 3938/4885GRIK1 1826/4885GRIK2 2278/4885

“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.