SCHEMBL1926641

SCHEMBL1926641

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADRB2 P07550 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL1212749 0.88 KDM4E (0.37) KDM4EPOLBMAPTBLMTDP1
SCHEMBL1209801 0.85 ALDH1A1 (0.41) ADRB2LMNACYP3A4HIF1AAPP
SCHEMBL1208926 0.85 ALDH1A1 (0.41) ADRB2LMNACYP3A4HIF1AAPP
SCHEMBL1213249 0.84 SERPINE1 (0.41) KDM4EPOLBMAPTBLMTDP1
SCHEMBL1927417 0.84 PPARA (0.40) APPPPARGPPARAPPARDATM
SCHEMBL2309551 0.82 CTSK (0.39) KDM4EPOLBMAPTBLMTDP1
SCHEMBL1172343 0.82 CTSK (0.39) KDM4EPOLBMAPTBLMTDP1
SCHEMBL9544068 0.81 PPARA (0.46) TDP1LMNATP53TSHRHSD17B10
SCHEMBL9544071 0.81 PPARA (0.46) TDP1LMNATP53TSHRHSD17B10
SCHEMBL1927351 0.77 TDP1 (0.48) KDM4EPOLBMAPTBLMTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-07-26 US disclosed
US-8163958-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2012-04-24 US disclosed
US-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-08-18 US disclosed
US-7956212-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2011-06-07 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 (2 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-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC KDM4E 2224/4885POLB 1582/4885MAPT 1341/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC KDM4E 2224/4885POLB 1582/4885MAPT 1341/4885

“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.