SCHEMBL1883879

SCHEMBL1883879

[CH2]CCNC(=O)OCOC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
EPHX1 P07099 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
MDM2 Q00987 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
SCHEMBL1884857 0.88 ALDH1A1 (0.40) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL18816752 0.86 ALDH1A1 (0.38) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL18792727 0.84 ALDH1A1 (0.40) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL1885005 0.81 ALDH1A1 (0.37) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL18631686 0.80 ALDH1A1 (0.37) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL18848235 0.80 CHRNB2 (0.36) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL392016 0.79 ALDH1A1 (0.38) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL10099631 0.79 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL1893283 0.79 ADRB2 (0.43) ALDH1A1ADRB2ADRB1ADRB3EPHX1
SCHEMBL1886547 0.79 ADRB2 (0.43) ALDH1A1ADRB2ADRB1ADRB3EPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 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 (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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS ALDH1A1 2138/4885ADRB2 4345/4885ADRB1 3993/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS ALDH1A1 2138/4885ADRB2 4345/4885ADRB1 3993/4885

“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.