SCHEMBL4739239

SCHEMBL4739239

[CH2][C@@H](C)OC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP2D6 P10635 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
SCHEMBL14593926 0.80 ELANE (0.36) ELANEDGAT1CA1CA2CA7
SCHEMBL3082211 0.80 TSHR (0.43) ELANEDGAT1CA1CA2CA7
SCHEMBL4739516 0.79 ALDH1A1 (0.31)
SCHEMBL4958194 0.78 ELANE (0.35) ELANEDGAT1CA1CA2CA7
Hydrogen Peroxide SCHEMBL22069984 0.78 TSHR (0.42) ELANEDGAT1CA1CA2CA7
Water SCHEMBL427934 0.78 TSHR (0.42) ELANEDGAT1CA1CA2CA7
SCHEMBL6009039 0.78 ELANE (0.35) ELANEDGAT1CA1CA2CA7
SCHEMBL12306266 0.76 CA1 (0.37) ELANEDGAT1CA1CA2CA7
SCHEMBL6897890 0.76 CA1 (0.37) ELANEDGAT1CA1CA2CA7
SCHEMBL6897035 0.76 CA1 (0.37) ELANEDGAT1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US disclosed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 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 (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-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT ELANE 1079/4885DGAT1 2433/4885CA1 2312/4885

“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.