SCHEMBL23767448

SCHEMBL23767448

CC(C)(C)n1nnnc1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HCAR3 P49019 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4405820 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4412005 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EGAALMNANPSR1
SCHEMBL4413253 0.70 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL10244855 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4631171 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL22069560 0.70 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL16211963 0.70 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6LMNANPSR1
Hydrochloric Acid SCHEMBL9661487 0.68 ALDH1A1 (0.40) ALDH1A1MEN1GAAKMT2ANPSR1
SCHEMBL8513413 0.68 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4416287 0.67 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
US-20230107793-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-04-06 US disclosed
WO-2021160127-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-08-19 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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR ALDH1A1 1044/4885HDAC1 1477/4885HDAC6 1026/4885
US-20230107793-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR ALDH1A1 917/4885HDAC1 1412/4885HDAC6 975/4885

“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.