SCHEMBL26516211

SCHEMBL26516211

CC(=O)N[C@H]1CCC(C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FASN P49327 3/20 0.42
TLR4 O00206 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HSD11B1 P28845 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
GLA P06280 1/20 0.33
KDM1A O60341 1/20 0.33
BTK Q06187 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPL P05186 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
SCHEMBL25018434 1.00 EPHX1 (0.50) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL14805905 1.00 EPHX1 (0.50) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL25018437 1.00 EPHX1 (0.50) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL12384644 0.89 ALDH1A1 (0.49) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL25689877 0.88 EPHX1 (0.63) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL1176981 0.88 EPHX1 (0.63) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL26513180 0.86 ATM (0.44) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL25018678 0.85 ATM (0.50) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL12422036 0.85 ATM (0.50) EPHX1EPHX2ATMALDH1A1KDM4E
SCHEMBL25018770 0.81 EPHX1 (0.66) EPHX1EPHX2ATMALDH1A1KDM4E

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-20230322792-A1 CDK9 INHIBITORS BAERENKRAFT THERAPEUTICS, LLC 2023-10-12 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-20230322792-A1 CDK9 INHIBITORS CDK9, CDK19, CDK3 EPHX1 3487/4885EPHX2 3354/4885ATM 714/4885

“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.