SCHEMBL4787362

SCHEMBL4787362

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 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
SCHEMBL18270572 0.82 LMNA (0.42) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL18270561 0.82 LMNA (0.42) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL4735801 0.82 TSHR (0.31) ALDH1A1TSHR
SCHEMBL4736556 0.82 TSHR (0.31) ALDH1A1TSHR
SCHEMBL3912864 0.82 LMNA (0.42) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL9012298 0.80 FAAH (0.44) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL4739524 0.78 FAAH (0.40) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL6894086 0.78 CTSK (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL6894920 0.78 SMN1; SMN2 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL2988148 0.78 FAAH (0.40) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1

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 SMN1; SMN2 94/4885MEN1 1297/4885ALDH1A1 636/4885

“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.