SCHEMBL21133686

SCHEMBL21133686

CCOCCn1cnc2[nH]c(=O)n(C)c(=O)c21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
ADORA2B P29275 3/20 0.55
ADORA2A P29274 2/20 0.55
CNOT7 Q9UIV1 7/20 0.55
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA1 P30542 1/20 0.40
PARN O95453 1/20 0.40

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
SCHEMBL14507745 0.88 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13217674 0.83 ALDH1A1 (0.66) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL4534193 0.80 LMNA (0.62) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13659011 0.79 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL659913 0.78 TSHR (0.52) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL26439771 0.77 LMNA (0.57) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL4532803 0.76 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL27462802 0.76 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL3843737 0.76 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9299928 0.76 LMNA (0.60) ALDH1A1LMNACYP3A4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 ALDH1A1 1104/4885LMNA 594/4885CYP3A4 2741/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885LMNA 594/4885CYP3A4 2741/4885

“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.