SCHEMBL21990616

SCHEMBL21990616

C=C(C)C(=O)OC(C)NC(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.37

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
SCHEMBL9321911 0.84 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL2993463 0.80 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL11222542 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL16295841 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL7765016 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL26305 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
Fluoride SCHEMBL8582112 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL23494390 0.75 TSHR (0.41) ALDH1A1TSHR
Chloromethane SCHEMBL28216853 0.75 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL21439883 0.74 ALDH1A1 (0.40) ALDH1A1TSHR

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
CN-113164789-B Composition comprising an encapsulate 宝洁公司 2024-01-09 CN claimed
EP-3666753-B1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF TOSOH FINECHEM CORP (JP) 2024-09-11 EP disclosed
CN-112638352-B Composition comprising benefit agent-containing delivery particles 恩盖普有限公司 2024-05-07 CN disclosed
CN-116323893-A Consumer product compositions comprising an encapsulate population 宝洁公司 2023-06-23 CN disclosed
CN-116323888-A Consumer product comprising delivery particles with high core to wall ratio 宝洁公司 2023-06-23 CN disclosed
US-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof TOSOH FINECHEM CORPORATION (JP) 2022-10-04 US disclosed
EP-3666753-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF Tosoh Finechem Corporation (JP) 2020-06-17 EP disclosed
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF TOSOH FINECHEM CORPORATION (JP) 2020-06-04 US 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-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof SLC7A1, ARSA, STS ALDH1A1 3039/4885TSHR 2323/4885
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF SLC7A1, ARSA, STS ALDH1A1 3039/4885TSHR 2323/4885

“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.