SCHEMBL1214517

SCHEMBL1214517

CCCCC(=O)Oc1ccc(C[C@H](NCC(C)OC(=O)OCCC)C(=O)OC)cc1OC(=O)CCCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.54
TOP2A P11388 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 6/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL1210665 0.98 ALOX15 (0.57) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1218805 0.95 ALOX15 (0.56) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1212745 0.94 ALOX15 (0.57) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1217724 0.94 ALOX15 (0.54) ALOX15CNR1CNR2ALDH1A1HDAC1
SCHEMBL1218357 0.94 ALOX15 (0.52) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1218011 0.94 ALOX15 (0.51) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1217493 0.92 ALOX15 (0.54) ALOX15TOP2ACNR1CNR2ALDH1A1
SCHEMBL1216124 0.92 ALOX15 (0.53) ALOX15TOP2AALDH1A1TRPV1HDAC1
SCHEMBL1212705 0.92 ALOX15 (0.46) ALOX15CNR1CNR2ALDH1A1HDAC1
SCHEMBL1219096 0.92 ALOX15 (0.53) ALOX15TOP2ACNR1CNR2ALDH1A1

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 513/4885TOP2A 2204/4885CNR1 1998/4885

“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.