SCHEMBL4200419

SCHEMBL4200419

CC(C)(CCCOC(=O)C(C)(C)C)COC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKCA P17252 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 4/20 0.32
CHRM4 P08173 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
LMNA P02545 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL6468977 0.84 MEN1 (0.41) MEN1KMT2APRKCAPOLBLMNA
SCHEMBL6269276 0.82 MEN1 (0.36) MEN1KMT2A
SCHEMBL6465523 0.81 ACHE (0.40) MEN1KMT2A
SCHEMBL3044566 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL6468901 0.80 MEN1 (0.39) MEN1KMT2APOLBLMNA
SCHEMBL186143 0.80 MEN1 (0.36) MEN1KMT2A
SCHEMBL3951259 0.79 KMT2A (0.36) MEN1KMT2APOLB
SCHEMBL6259741 0.79 MEN1 (0.39) MEN1KMT2A
SCHEMBL6469034 0.79 MEN1 (0.41) MEN1KMT2A
SCHEMBL6256558 0.78 MEN1 (0.36) MEN1KMT2A

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-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-26 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-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE AASDHPPT, ADSL, NAPEPLD MEN1 1261/4885KMT2A 3274/4885PRKCA 3766/4885

“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.