SCHEMBL1210698

SCHEMBL1210698

CC(CC(c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRB2 P07550 1/20 0.42
ELANE P08246 10/20 0.40
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
APP P05067 2/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 2/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL1209512 1.00 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1172343 0.84 CTSK (0.39) LMNACYP3A4HIF1AADRB2CTSS
SCHEMBL2309551 0.84 CTSK (0.39) LMNACYP3A4HIF1AADRB2CTSS
SCHEMBL1208926 0.83 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1209801 0.83 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1210556 0.81 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1207874 0.81 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4HIF1AADRB2
Hydrochloric Acid SCHEMBL3747460 0.80 ADRB2 (0.44) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1213897 0.77 SLC7A5 (0.37) ALDH1A1LMNACYP3A4HIF1AADRB2
SCHEMBL1926447 0.77 CTSK (0.39) CTSSCTSKAPPPPARGPPARA

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-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2011-02-03 US disclosed
US-7829592-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2010-11-09 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-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, PARK7, DDT ALDH1A1 636/4885LMNA 3425/4885CYP3A4 726/4885

“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.