SCHEMBL4739841

SCHEMBL4739841

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.38
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 0.30
LMNA P02545 2/20 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
SCHEMBL1217613 1.00 TSHR (0.42) TSHRHCAR2CA12CA1CA2
SCHEMBL2985138 0.82
SCHEMBL2991477 0.82
SCHEMBL2984857 0.81
SCHEMBL2989653 0.81
SCHEMBL2982684 0.81
SCHEMBL2988025 0.81
SCHEMBL36670 0.81 TSHR (0.59) TSHRHCAR2CA12CA1CA2
SCHEMBL13641831 0.78 TSHR (0.40) TSHRHCAR2CA12CA1CA2
SCHEMBL6729295 0.78 TSHR (0.56) TSHRHCAR2CA12CA1CA2

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 TSHR 3809/4885HCAR2 856/4885CA12 1536/4885

“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.