SCHEMBL21847339

SCHEMBL21847339

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27625706 0.82 KCNH2 (0.33) ALDH1A1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL31410659 0.80 ALOX15 (0.31) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL27705889 0.79 TSHR (0.31) TSHR
SCHEMBL21847351 0.77 GAA (0.37) TSHRALDH1A1
SCHEMBL14087276 0.77 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL1107364 0.72 ALDH1A1 (0.35) ALDH1A1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL21847370 0.71 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL21847338 0.70
SCHEMBL5690441 0.69 NAAA (0.33) TSHRALDH1A1SMN1; SMN2
SCHEMBL10546688 0.69 ALDH1A1 (0.36) ALDH1A1KCNH2OPRM1OPRD1MRGPRX2

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 5 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
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 TSHR 3071/4885ALDH1A1 71/4885KCNH2 1275/4885
US-12291690-B2 Ethers and esters of tertiary alkanols for use as aroma chemicals OR51E2, ETV1, ALK TSHR 3071/4885ALDH1A1 71/4885KCNH2 1275/4885

“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.