SCHEMBL5012805

SCHEMBL5012805

CCCOC(=O)OCC(C)CC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 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
SCHEMBL1127763 0.89 MAPT (0.50) MAPTALDH1A1HSD17B10LMNATDP1
SCHEMBL25392616 0.89 MAPT (0.50) MAPTALDH1A1HSD17B10LMNATDP1
SCHEMBL18856263 0.86 NAAA (0.46) MAPTALDH1A1HCAR2LMNATSHR
SCHEMBL4923499 0.86 TSHR (0.38) MAPTALDH1A1HSD17B10HCAR2LMNA
SCHEMBL21448673 0.85 NAAA (0.48) MAPTALDH1A1HCAR2LMNATSHR
SCHEMBL18388469 0.85 NAAA (0.48) MAPTALDH1A1HCAR2LMNATSHR
Bicarbonate SCHEMBL28397287 0.85 MAPT (0.52) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL5724509 0.83 ALDH1A1 (0.59) MAPTALDH1A1HSD17B10HCAR2LMNA
SCHEMBL18924829 0.83 MAPT (0.46) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL451857 0.83 TSHR (0.43) MAPTALDH1A1HSD17B10HCAR2LMNA

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 2 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

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 MAPT 361/4885ALDH1A1 636/4885HSD17B10 1201/4885

“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.