SCHEMBL28653095

SCHEMBL28653095

COC(C)(COC(C)=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL1742403 0.89 GAA (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL1492509 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL11581125 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL22721337 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL3199088 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL697625 0.76
SCHEMBL14627793 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL6095317 0.74
SCHEMBL9293851 0.74
SCHEMBL5692007 0.73 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139469-B2 Amber odorant FIRMENICH SA (CH) 2024-11-12 US disclosed
US-20220106285-A1 AMBER ODORANT FIRMENICH SA (CH) 2022-04-07 US disclosed
CN-113423700-A Amber flavor agent 弗门尼舍有限公司 2021-09-21 CN 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-20220106285-A1 AMBER ODORANT OPRM1, TRPA1, PYM1 ALDH1A1 860/4885LMNA 1634/4885HSD17B10 2362/4885
US-12139469-B2 Amber odorant OPRM1, TRPA1, PYM1 ALDH1A1 860/4885LMNA 1634/4885HSD17B10 2362/4885

“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.