SCHEMBL25820345

SCHEMBL25820345

CC(C)C(=O)N1CCc2ccc(C(C)C)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.54
BIRC2 Q13490 1/20 0.54
CYP11B1 P15538 2/20 0.47
NOTUM Q6P988 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP11B2 P19099 1/20 0.43
IDO1 P14902 1/20 0.42

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
SCHEMBL25820348 0.91 PDK1 (0.50) XIAPBIRC2CYP11B1NOTUMALDH1A1
SCHEMBL17368393 0.88 CYP11B1 (0.56) CYP11B1NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL10080932 0.86 NOTUM (0.63) XIAPBIRC2CYP11B1NOTUMALDH1A1
SCHEMBL22104629 0.82 XIAP (0.64) XIAPBIRC2CYP11B1NOTUMALDH1A1
SCHEMBL20348525 0.82 NOTUM (0.70) XIAPBIRC2CYP11B1NOTUMALDH1A1
SCHEMBL21348490 0.80 HPGD (0.62) XIAPBIRC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL17368396 0.79 PDK1 (0.62) CYP11B1NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL25786385 0.78 NOTUM (0.59) XIAPBIRC2NOTUMALDH1A1TSHR
SCHEMBL17341938 0.78 TSHR (0.67) NOTUMALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL30911970 0.76 XIAP (0.54) XIAPBIRC2NOTUMALDH1A1MAPT

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA XIAP 722/4885BIRC2 940/4885CYP11B1 587/4885

“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.