SCHEMBL12464245

SCHEMBL12464245

C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)[C@@H](O)C[C@H]2O)CCC4=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 1.00
PIK3CA P42336 5/20 0.71
AURKA O14965 1/20 0.71
CDK1 P06493 1/20 0.71
NEK2 P51955 1/20 0.71
PLK1 P53350 1/20 0.71
EED O75530 3/20 0.41
SUZ12 Q15022 3/20 0.41
EZH2 Q15910 3/20 0.41
RBBP4 Q09028 1/20 0.41
RBBP7 Q16576 1/20 0.41
PIK3R1 P27986 3/20 0.41
IDO1 P14902 6/20 0.40
TDO2 P48775 6/20 0.40
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CES2 O00748 1/20 0.34
APAF1 O14727 1/20 0.34
TERT O14746 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19198458 1.00 APP (1.00) APPPIK3CAAURKACDK1NEK2
SCHEMBL12162245 1.00 APP (1.00) APPPIK3CAAURKACDK1NEK2
SCHEMBL12162279 1.00 APP (1.00) APPPIK3CAAURKACDK1NEK2
SCHEMBL12104122 0.90 APP (0.81) APPPIK3CAAURKACDK1NEK2
SCHEMBL19194047 0.83 APP (0.71) APPPIK3CAAURKACDK1NEK2
Demethoxyviridin SCHEMBL29745916 0.83 APP (1.00) APPPIK3CAAURKACDK1NEK2
Demethoxyviridin SCHEMBL12162246 0.83 APP (1.00) APPPIK3CAAURKACDK1NEK2
Demethoxyviridin SCHEMBL12464244 0.83 APP (1.00) APPPIK3CAAURKACDK1NEK2
SCHEMBL20199947 0.81 APP (0.68) APPPIK3CAAURKACDK1NEK2
SCHEMBL8226303 0.81 APP (0.68) APPPIK3CAAURKACDK1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
US-20090274739-A1 METHODS AND COMPOSITIONS FOR TREATING NEOINTIMAL HYPERPLASIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-05 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP APP 2035/4885PIK3CA 4464/4885AURKA 2444/4885
US-20090274739-A1 METHODS AND COMPOSITIONS FOR TREATING NEOINTIMAL HYPERPLASIA MTOR, RICTOR, RPTOR APP 3190/4885PIK3CA 6/4885AURKA 3941/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP APP 2035/4885PIK3CA 4464/4885AURKA 2444/4885

“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.