SCHEMBL25061577

SCHEMBL25061577

CCOC(=O)C1(C(C)C)CC(C(C)(C)C)=NO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL25061567 0.84 CA12 (0.30)
SCHEMBL25061531 0.80 ATM (0.36) TP53ATMMEN1KMT2AMAPK1
SCHEMBL25061772 0.80 TP53 (0.39) TP53ATMMEN1KMT2AMAPK1
SCHEMBL25061502 0.78 ITGB1 (0.36) CRBNTP53ATMMEN1KMT2A
SCHEMBL25061568 0.78 CRBN (0.33) CRBNATMPOLB
SCHEMBL25061497 0.77 CRBN (0.35) CRBNTP53ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL25436233 0.77 MEN1 (0.33) TP53ATMMEN1KMT2AMAPK1
SCHEMBL25061466 0.76 CRBN (0.34) CRBNTP53ATMMEN1KMT2A
SCHEMBL25061477 0.76 CRBN (0.34) CRBNTP53ATMMEN1KMT2A
SCHEMBL25061456 0.76 CRBN (0.34) CRBNTP53ATMMEN1KMT2A

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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 CRBN 1907/4885TP53 3926/4885ATM 4299/4885

“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.