SCHEMBL4740047

SCHEMBL4740047

C[CH]COC(=O)OCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 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
SCHEMBL320682 0.83 ALDH1A1 (0.45) ALDH1A1KMT2ACYP2C19
SCHEMBL304787 0.76 CYP2C19 (0.31) KMT2ACYP2C19
SCHEMBL4736565 0.76 HDAC6 (0.36)
SCHEMBL304788 0.75 ALDH1A1 (0.65) ALDH1A1KMT2ACYP2C19
SCHEMBL11986240 0.75 ALDH1A1 (0.38) ALDH1A1KMT2ACYP2C19
SCHEMBL1216481 0.75
SCHEMBL5964972 0.75 ALDH1A1 (0.38) ALDH1A1KMT2ACYP2C19
SCHEMBL632730 0.74 CYP2C19 (0.36) ALDH1A1KMT2ACYP2C19
SCHEMBL9790004 0.74 SOAT1 (0.50) ALDH1A1KMT2ACYP2C19
SCHEMBL6896474 0.74 PTGS1 (0.42) ALDH1A1KMT2A

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 ALDH1A1 636/4885KMT2A 1661/4885CYP2C19 256/4885

“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.