SCHEMBL30787995

SCHEMBL30787995

CC(C)(C)OC(=O)n1c2c(c3cc(Cl)c(Cl)cc31)CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
TP53 P04637 1/20 0.37
CREBBP Q92793 1/20 0.37
ACHE P22303 2/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H2 P55055 2/20 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
SCHEMBL2360130 1.00 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2360606 0.93 TP53 (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22529406 0.93 TP53 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2359949 0.84 TP53 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2360361 0.81 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2360304 0.80 TP53 (0.40) TP53CREBBPACHEMAOAALDH1A1
SCHEMBL8791684 0.80 TP53 (0.60) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL18155436 0.76 TGM2 (0.35) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2360890 0.74 TP53 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22529425 0.74 TP53 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3

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-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 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-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 CCNB2 4063/4885CDK1 3810/4885CCNB1 3322/4885

“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.