SCHEMBL21847341

SCHEMBL21847341

C=CC(CC)(CC)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL27752748 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL5141801 0.80 MGAM (0.36) GAAALDH1A1LMNATSHRTHRB
SCHEMBL21847370 0.80 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL27518350 0.76 GAA (0.40) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL28156278 0.74 HCAR2 (0.47) ALDH1A1TSHRTHRB
SCHEMBL21858450 0.74 TSHR (0.33) TSHRTHRB
SCHEMBL29404555 0.73 ALOX15 (0.43) GAAALDH1A1LMNATSHR
SCHEMBL27634434 0.72 CYP2D6 (0.32) LMNATSHR
SCHEMBL27726505 0.72 HPGD (0.31) TSHR
SCHEMBL8946351 0.71 GAA (0.36) GAAALDH1A1LMNAHSD17B10

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 6 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
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 2737/4885ALDH1A1 71/4885LMNA 1511/4885
US-12291690-B2 Ethers and esters of tertiary alkanols for use as aroma chemicals OR51E2, ETV1, ALK GAA 2737/4885ALDH1A1 71/4885LMNA 1511/4885

“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.