SCHEMBL2107548

SCHEMBL2107548

C[C@H]1C[C@@](O)(c2cccc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
TRIM24 O15164 1/20 0.35
CYP11B2 P19099 7/20 0.34
CYP11B1 P15538 3/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TMEM97 Q5BJF2 1/20 0.31
ADAM17 P78536 1/20 0.31
TRPV1 Q8NER1 2/20 0.31

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
SCHEMBL2108067 0.92 CREBBP (0.36) ALOX5TRIM24
SCHEMBL8557662 0.88 ALOX5 (0.47) ALOX5TRIM24CYP11B2CYP11B1PDE3B
SCHEMBL8555575 0.88 ALOX5 (0.42) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL2108821 0.88 ATAD2 (0.40) ALOX5CYP11B2CYP11B1CYP1A2
SCHEMBL8555580 0.88 ALOX5 (0.42) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL9274972 0.87 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL9275295 0.87 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL9271466 0.87 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL2109207 0.87 ALOX5 (0.49) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL2109679 0.87 ALOX5 (0.37) ALOX5TRPV1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO claimed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP claimed
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-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 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-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
EP-1871908-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2008-01-02 EP disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
WO-2006105439-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE. AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2006-10-05 WO disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
WO-2004035741-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2004-04-29 WO disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0702678-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
WO-1994029291-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP 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-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885TRIM24 1598/4885CYP11B2 1252/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885TRIM24 1598/4885CYP11B2 1252/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 14/4885TRIM24 1327/4885CYP11B2 698/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 13/4885TRIM24 1319/4885CYP11B2 619/4885

“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.