SCHEMBL4735830

SCHEMBL4735830

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS1 P23219 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX4 Q99571 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL37351 0.83 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL25435787 0.83 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL4739190 0.82 MAPT (0.41) TSHRALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL9998248 0.81 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL165777 0.81 TSHR (0.55) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL5009622 0.79 TDP1 (0.42) TSHRTDP1LMNAKMT2AALDH1A1
SCHEMBL6894506 0.78 TSHR (0.42) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL6896630 0.78 TSHR (0.42) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL13133074 0.77 TSHR (0.48) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL4740857 0.77

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 3809/4885TDP1 198/4885MEN1 1297/4885

“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.