SCHEMBL13020177

SCHEMBL13020177

CC[C@H](C(C)=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
KCNQ2 O43526 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
KDM4A O75164 1/20 0.50
BCHE P06276 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL13389213 1.00 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL1099218 1.00 LMNA (0.58) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL4558922 0.88 PTGS2 (0.52) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL4935067 0.86 LMNA (0.61) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL67237 0.84 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL65737 0.84 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL1715 0.84 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL20769804 0.84 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL29757088 0.84 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL4560385 0.84 CTSS (0.50) LMNAHSD17B10ALDH1A1POLBKCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170319670-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues PURDUE PHARMA L.P. (US) 2017-11-09 US disclosed
US-9549972-B2 MHC-I restricted epitopes containing non-natural amino acid residues PURDUE PHARMA L.P. (US) 2017-01-24 US disclosed
US-20160022787-A1 Peptide Immunogens PURDUE PHARMA L.P. (US) 2016-01-28 US disclosed
US-9109007-B2 MHC-I restricted epitopes containing non-natural amino acid residues PURDUE PHARMA L.P. (US) 2015-08-18 US disclosed
US-20140050749-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues PURDUE PHARMA L.P. (US) 2014-02-20 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (4 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-20170319670-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues MICA, HLA-DRB1, CD74 LMNA 4141/4885HSD17B10 3799/4885ALDH1A1 3978/4885
US-20160022787-A1 Peptide Immunogens MICA, HLA-DRB1, CD74 LMNA 4776/4885HSD17B10 4199/4885ALDH1A1 4412/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885HSD17B10 1305/4885ALDH1A1 1144/4885
US-20140050749-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues MICA, TAP1, CD74 LMNA 2733/4885HSD17B10 800/4885ALDH1A1 326/4885

“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.