SCHEMBL3021735

SCHEMBL3021735

[CH2][C@H](C)OC(=O)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
ELANE P08246 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48

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
SCHEMBL5106640 0.85 CA1 (0.66) CA1CA2CES2CES1MAPT
SCHEMBL8897395 0.83 CA1 (0.62) CA1CA2CES2CES1MAPT
SCHEMBL28863566 0.81 CA1 (0.60) CA1CA2CES2CES1MAPT
SCHEMBL11478296 0.81 CA1 (0.60) CA1CA2CES2CES1MAPT
SCHEMBL3024474 0.81 CA12 (0.71) CA1CA2MEN1KMT2AADRB2
SCHEMBL9980893 0.81 CA12 (0.71) CA1CA2MEN1KMT2AADRB2
SCHEMBL698001 0.80 CA1 (0.58) CA1CA2CES2CES1MAPT
SCHEMBL3010791 0.79 MAPT (0.49) CA1CA2CES2CES1MAPT
SCHEMBL3026906 0.79 MAPT (0.49) CA1CA2CES2CES1MAPT
SCHEMBL25385586 0.79 CA1 (0.62) CA1CA2CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP claimed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US claimed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US claimed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US claimed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US claimed
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP claimed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO claimed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US claimed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP disclosed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 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 (5 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-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC CA1 3469/4885CA2 4601/4885CES2 133/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC CA1 3469/4885CA2 4601/4885CES2 133/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC CA1 3469/4885CA2 4601/4885CES2 133/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC CA1 3469/4885CA2 4601/4885CES2 133/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 CA1 1101/4885CA2 4100/4885CES2 451/4885

“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.