SCHEMBL24311583

SCHEMBL24311583

CC(=O)CC(C)CCNC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53BP1 Q12888 1/20 0.31
SLC2A1 P11166 1/20 0.31
KISS1R Q969F8 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 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
SCHEMBL24311586 0.82 TP53BP1 (0.31) TP53BP1
SCHEMBL24153060 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KISS1R
SCHEMBL24311737 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KISS1R
SCHEMBL10245062 0.74 TSHR (0.44)
SCHEMBL10245064 0.74 TSHR (0.44)
SCHEMBL21452443 0.72 ACACB (0.36) ALDH1A1
SCHEMBL6070886 0.72 LMNA (0.31) LMNA
SCHEMBL11762490 0.71 ALDH1A1 (0.42) ALDH1A1TDP1LMNA
SCHEMBL10278353 0.71 KDM4E (0.33) LMNASMN1; SMN2
SCHEMBL22621463 0.70 TSHR (0.39)

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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS ALDH1A1 2370/4885TDP1 2985/4885TP53BP1 3747/4885

“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.