SCHEMBL4446456

SCHEMBL4446456

CC(C)(C)OC(=O)N1CC(O)CC1COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GHSR Q92847 1/20 0.40
PPARA Q07869 1/20 0.40
RIPK1 Q13546 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SRC P12931 4/20 0.39
NR1D1 P20393 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CSF1R P07333 1/20 0.38
PPARG P37231 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4446450 1.00 POLB (0.42) POLBCYP1A2CYP3A4CYP2C19GHSR
SCHEMBL8059551 0.95 CYP1A2 (0.45) POLBCYP1A2CYP3A4CYP2C19RIPK1
SCHEMBL8067784 0.87 CYP3A4 (0.44) POLBCYP1A2CYP3A4CYP2C19NR1D1
SCHEMBL8059684 0.86 CYP1A2 (0.43) POLBCYP1A2CYP3A4CYP2C19NR1D1
SCHEMBL8061878 0.85 SRC (0.43) SRCNR1D1
SCHEMBL13663655 0.85 PDE4B (0.42) POLBCYP1A2CYP3A4CYP2C19RIPK1
SCHEMBL8064836 0.84 SRC (0.41) SRCNR1D1HDAC8
SCHEMBL5155194 0.83 CYP1A2 (0.44) POLBCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL6543115 0.83 CYP1A2 (0.44) POLBCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL4325300 0.83 ABCB1 (0.52) GHSRPPARG

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 7 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
WO-2007040681-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 POLB 2277/4885CYP1A2 238/4885CYP3A4 209/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S POLB 2277/4885CYP1A2 238/4885CYP3A4 209/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S POLB 2277/4885CYP1A2 238/4885CYP3A4 209/4885

“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.