SCHEMBL24845973

SCHEMBL24845973

CC(=O)NCCCC[C@H](N)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 3/20 0.52
ADRA1A P35348 1/20 0.46
FOLH1 Q04609 1/20 0.44
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT5 Q9NXA8 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
RRM1 P23921 1/20 0.38
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4317849 0.82 DPP7 (0.38) KDM4EMAPK1HIF1AFOLH1SIRT6
SCHEMBL6191507 0.82 DPP7 (0.38) KDM4EMAPK1HIF1AFOLH1SIRT6
SCHEMBL4317858 0.82 DPP7 (0.38) KDM4EMAPK1HIF1AFOLH1SIRT6
SCHEMBL22012839 0.82 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL289499 0.81 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13471980 0.81 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL28816834 0.81 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8067814 0.81 DPP7 (0.33) KDM4EMAPK1HIF1APAOXSIRT6
SCHEMBL1162109 0.80 ADRA1A (0.59) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1162111 0.80 ADRA1A (0.59) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 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 (1 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-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KDM4E 3663/4885MAPK1 3527/4885HIF1A 3468/4885

“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.