SCHEMBL22938995

SCHEMBL22938995

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ESRRG P62508 1/20 0.50
CA2 P00918 3/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
IDO1 P14902 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA2A P29274 1/20 0.44

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
SCHEMBL22939679 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL22939048 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL29780254 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL22939676 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL21163666 0.99 ESRRG (0.51) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL23832608 0.91 ALDH1A1 (0.52) SMN1; SMN2ESRRGCA2LMNAALDH1A1
SCHEMBL750337 0.90 ESRRG (0.56) ESRRGCA2LMNAALDH1A1SLC22A2
SCHEMBL4257896 0.88 SMN1; SMN2 (0.57) SMN1; SMN2CA2ALDH1A1CA12CA1
SCHEMBL3758446 0.88 ESRRG (0.53) ESRRGCA2LMNAALDH1A1SLC22A2
SCHEMBL29780267 0.88 ESRRG (0.53) ESRRGCA2LMNAALDH1A1SLC22A2

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-12624038-B2 Molecules and methods related to treatment of uncontrolled cellular proliferation ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2026-05-12 US disclosed
US-20220251097-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF UNCONTROLLED CELLULAR PROLIFERATION ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-08-11 US disclosed
WO-2021022076-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF UNCONTROLLED CELLULAR PROLIFERATION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2021-02-04 WO 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-20220251097-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF UNCONTROLLED CELLULAR PROLIFERATION MKI67, BCL2, PCNA SMN1; SMN2 2560/4885ESRRG 1684/4885CA2 1559/4885
US-12624038-B2 Molecules and methods related to treatment of uncontrolled cellular proliferation CCNC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MKI67 SMN1; SMN2 4430/4885ESRRG 3141/4885CA2 492/4885

“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.