SCHEMBL21847337

SCHEMBL21847337

CCC(C)(OC(C)=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 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
SCHEMBL16320893 0.86 GAA (0.40) GAATSHRALDH1A1LMNAHSD17B10
SCHEMBL14990863 0.83 TSHR (0.33) GAATSHRALDH1A1
SCHEMBL364397 0.83 ALDH1A1 (0.35) GAATSHRALDH1A1LMNAHSD17B10
SCHEMBL27565535 0.80 GAA (0.39) GAATSHRALDH1A1LMNAHSD17B10
SCHEMBL2774042 0.79 TSHR (0.31) TSHR
SCHEMBL13008707 0.79 GAA (0.41) GAATSHRALDH1A1CHRM2CHRM4
SCHEMBL21847349 0.79 NAAA (0.34) TSHRALDH1A1
SCHEMBL18704822 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL19045354 0.78 GAA (0.34) GAA
SCHEMBL8092480 0.77 ATM (0.39) TSHRMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291690-B2 Ethers and esters of tertiary alkanols for use as aroma chemicals BASF SE (DE) 2025-05-06 US disclosed
EP-3867217-B1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2022-12-07 EP disclosed
EP-3867217-B1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2022-12-07 EP disclosed
US-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-12-16 US disclosed
US-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-12-16 US disclosed
CN-112867703-A Ethers and esters of tertiary alkanols as fragrance chemicals 巴斯夫欧洲公司 2021-05-28 CN disclosed
WO-2020079011-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-23 WO disclosed
EP-3640233-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-22 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 (2 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-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS OR51E2, ETV1, ALK GAA 2737/4885TSHR 3071/4885ALDH1A1 71/4885
US-12291690-B2 Ethers and esters of tertiary alkanols for use as aroma chemicals OR51E2, ETV1, ALK GAA 2737/4885TSHR 3071/4885ALDH1A1 71/4885

“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.