SCHEMBL24168564

SCHEMBL24168564

CC(C)(N)COC(C)(C)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.37
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESR2 Q92731 1/20 0.34
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK8 P49336 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL23008645 0.84 ALDH1A1 (0.35) ALDH1A1LMNASLC15A2
SCHEMBL4967281 0.82 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL22059589 0.80 TSHR (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL12945252 0.80 NAALAD2 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL12944268 0.80 NAALAD2 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL14140317 0.79 STING1 (0.32) HDAC3HDAC1HDAC2HDAC8
SCHEMBL21955598 0.79
SCHEMBL14140165 0.79 ALDH1A1 (0.47) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL12842502 0.79 ALDH1A1 (0.47) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL21989009 0.79 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A

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-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 US disclosed
WO-2023277186-A1 ANALYSIS METHOD FOR PEPTIDE BOUND TO CARRIER FOR LIQUID PHASE PEPTIDE SYNTHESIS ペプチスター株式会社 2023-01-05 WO disclosed
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2021-12-30 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-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, PEPD ALDH1A1 4702/4885MEN1 919/4885CYP1A2 2357/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN ALDH1A1 4220/4885MEN1 557/4885CYP1A2 3415/4885

“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.