SCHEMBL2108349

SCHEMBL2108349

O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.61
HDAC6 Q9UBN7 1/20 0.61
CYSLTR1 Q9Y271 10/20 0.59
CYSLTR2 Q9NS75 9/20 0.59
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.56

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
SCHEMBL8800199 0.82 ALOX5 (0.72) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL1419872 0.80 FFAR1 (0.77) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL1419751 0.80 CYSLTR1 (0.73) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8902567 0.79 ALOX5 (0.72) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL1419915 0.79 ALOX5 (0.72) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10411541 0.79 FFAR1 (0.67) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8965425 0.78 CYSLTR1 (0.64) ALOX5HDAC6CYSLTR1CYSLTR2FFAR1
SCHEMBL8870875 0.78 ALOX5 (0.61) ALOX5HDAC6CYSLTR1CYSLTR2FFAR1
Bicarbonate SCHEMBL9374712 0.77 CYSLTR1 (0.72) ALOX5HDAC6CYSLTR1CYSLTR2FFAR1
SCHEMBL9137219 0.77 GPBAR1 (0.67) ALOX5HDAC6CYSLTR1CYSLTR2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617597-B2 Genetic susceptibility variants associated with cardiovascular disease DECODE GENETICS EHF (IS) 2017-04-11 US disclosed
EP-2471954-B1 Genetic susceptibility variants associated with cardiovascular disease DECODE GENETICS EHF (IS) 2016-08-24 EP disclosed
US-20120208709-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF. (IS) 2012-08-16 US disclosed
EP-2471954-A1 Genetic susceptibility variants associated with cardiovascular disease Decode Genetics EHF (IS) 2012-07-04 EP disclosed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION DECODE GENETICS EHF (IS) 2010-05-13 US disclosed
US-20100068705-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF (IS) 2010-03-18 US disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 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-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION TNNI3, TSG101, ALDH1B1 ALOX5 728/4885HDAC6 3918/4885CYSLTR1 285/4885
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885HDAC6 4504/4885CYSLTR1 48/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885HDAC6 4504/4885CYSLTR1 48/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 13/4885HDAC6 4187/4885CYSLTR1 110/4885

“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.