SCHEMBL25061544

SCHEMBL25061544

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25061620 0.88 ATM (0.40) ATMPOLBMEN1KMT2ARAB9A
SCHEMBL12203107 0.82 ATM (0.38) ATMPOLBMEN1KMT2AGAA
SCHEMBL12203110 0.80 TP53 (0.39) ATMPOLBMEN1KMT2AGAA
SCHEMBL25061451 0.80 ATM (0.38) ATMPOLBMEN1KMT2ALMNA
SCHEMBL25061771 0.78 ATM (0.36) ATMPOLBMEN1KMT2ARAB9A
SCHEMBL25061476 0.78 ATM (0.37) ATMPOLBMEN1KMT2ALMNA
SCHEMBL12203113 0.78 CRBN (0.37) ATMPOLBGAA
SCHEMBL25061467 0.77 ATM (0.36) ATMPOLBMEN1KMT2ALMNA
SCHEMBL25061531 0.77 ATM (0.36) ATMPOLBMEN1KMT2ALMNA
SCHEMBL25061746 0.75 ATM (0.35) ATMPOLBLMNA

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 ATM 4299/4885POLB 3229/4885MEN1 4688/4885

“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.