SCHEMBL1214490

SCHEMBL1214490

CC(C)CCC(=O)Oc1ccc(C[C@H](NCC(C)OC(=O)OCC(C)C)C(=O)O)cc1OC(=O)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.43
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LDHA P00338 1/20 0.33
ATM Q13315 1/20 0.33
AKR1C3 P42330 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL1215439 0.94 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1213448 0.93 ALOX15 (0.40) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1216637 0.92 ALOX15 (0.53) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1210589 0.92 ALOX15 (0.45) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1213667 0.92 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1216491 0.92 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1209952 0.92 ALOX15 (0.46) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1213954 0.91 ALOX15 (0.43) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1209624 0.91 ALOX15 (0.56) ALOX15ITGB3ITGAVALDH1A1AKR1C3
SCHEMBL1209773 0.91 ALOX15 (0.46) ALOX15ADRB2ADRA2ADRD2ADRA2C

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 ALOX15 513/4885ADRB2 537/4885ADRA2A 759/4885

“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.