SCHEMBL4787371

SCHEMBL4787371

C[CH]COC(=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7697156 0.82 ALDH1A1 (0.45) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL15442983 0.80 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL634058 0.80 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL15443027 0.80 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL15443392 0.80 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL702109 0.79 ADRB2 (0.45) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL2306124 0.79 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL8845360 0.78 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL6350238 0.78 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3KMT2A
SCHEMBL9806822 0.77 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2HTT

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 636/4885ADRB2 537/4885ADRB1 741/4885

“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.