SCHEMBL2380650

SCHEMBL2380650

CC(=O)CCC1COCCN1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.35
MALT1 Q9UDY8 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL16771693 0.84 ARG1 (0.38) ARG1MALT1
SCHEMBL4666386 0.84 ARG1 (0.38) ARG1MALT1
SCHEMBL16771700 0.84 ARG1 (0.38) ARG1MALT1
SCHEMBL2327332 0.83 TSHR (0.39) ARG1MALT1IRAK4
SCHEMBL1854210 0.82 ARG1 (0.38) ARG1MALT1IRAK4
Hydrochloric Acid SCHEMBL15573124 0.82 ARG1 (0.38) ARG1MALT1
Hydrochloric Acid SCHEMBL16759537 0.82 ARG1 (0.38) ARG1MALT1
Hydrochloric Acid SCHEMBL18259318 0.82 ARG1 (0.38) ARG1MALT1
SCHEMBL30301492 0.82 ARG1 (0.38) ARG1MALT1
SCHEMBL2919033 0.81 ARG1 (0.33) ARG1MALT1

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-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 US disclosed
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 US disclosed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US disclosed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 US disclosed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 WO 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 (2 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 ARG1 3770/4885MALT1 767/4885IRAK4 4583/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 ARG1 3770/4885MALT1 767/4885IRAK4 4583/4885

“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.