SCHEMBL29326427

SCHEMBL29326427

CC(C)(C)C1CC2(CCN(CC(=O)O)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CACNA1H O95180 1/20 0.33
HSD11B1 P28845 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
SCHEMBL29324706 0.87 CYP2D6 (0.37) ITGB3ITGA2BCYP2D6CYP1A2ALOX15
SCHEMBL29326474 0.85 ITGB3 (0.43) ITGB3ITGA2BCYP2D6CYP1A2ALOX15
SCHEMBL29324709 0.80 KDM4E (0.44) CYP2D6CYP1A2ALOX15HSD11B1
SCHEMBL29324714 0.79 CYP2D6 (0.42) ITGB3ITGA2BCYP2D6CYP1A2ALOX15
SCHEMBL15112753 0.77 CYP1A2 (0.41) CYP2D6CYP1A2ALOX15HSD11B1
SCHEMBL14436547 0.77 HSD17B10 (0.44) ITGB3ITGA2BHSD17B10CYP2D6HSD11B1
SCHEMBL29326374 0.76 ALOX15 (0.45) HSD17B10CYP2D6CYP1A2ALOX15HSD11B1
SCHEMBL14671192 0.76 ITGB3 (0.51) ITGB3ITGA2BHSD17B10CYP2D6EGLN1
SCHEMBL20793542 0.75 ITGB3 (0.43) ITGB3ITGA2BHSD17B10CYP2D6CYP1A2
SCHEMBL29324699 0.74 EPHX2 (0.45) HSD17B10CYP2D6CYP1A2

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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 ITGB3 3806/4885ITGA2B 2931/4885HSD17B10 2205/4885

“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.