SCHEMBL4317028

SCHEMBL4317028

CC(C)(C)OC(=O)N1CCCC1COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.50
PRMT5 O14744 1/20 0.48
KLK7 P49862 1/20 0.47
LTA4H P09960 3/20 0.47
FEN1 P39748 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
USP30 Q70CQ3 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL4317022 1.00 ALOX5AP (0.50) ALOX5APPRMT5KLK7LTA4HFEN1
SCHEMBL4319616 1.00 ALOX5AP (0.50) ALOX5APPRMT5KLK7LTA4HFEN1
SCHEMBL13808931 0.91 ALOX5AP (0.48) ALOX5APPRMT5FEN1GPR119
SCHEMBL2895175 0.91 PRMT5 (0.56) ALOX5APPRMT5KLK7CHRNB2CHRNA5
SCHEMBL4314700 0.91 PRMT5 (0.56) ALOX5APPRMT5KLK7CHRNB2CHRNA5
SCHEMBL4314170 0.91 PRMT5 (0.56) ALOX5APPRMT5KLK7CHRNB2CHRNA5
SCHEMBL938055 0.91 ABHD6 (0.50) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL938053 0.91 ABHD6 (0.50) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL27936838 0.91 ABHD6 (0.50) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL4314068 0.90 ALOX5AP (0.47) ALOX5APPRMT5FEN1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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 (3 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ALOX5AP 21/4885PRMT5 3869/4885KLK7 2501/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ALOX5AP 21/4885PRMT5 3869/4885KLK7 2501/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ALOX5AP 21/4885PRMT5 3869/4885KLK7 2501/4885

“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.