SCHEMBL2889678

SCHEMBL2889678

CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCC#Cc2ccc(CO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
GPR119 Q8TDV5 3/20 0.42
FEN1 P39748 1/20 0.41
CHEK2 O96017 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PRMT5 O14744 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
SCHEMBL13290330 1.00 ALOX5AP (0.44) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL2889430 0.90 GPR119 (0.44) ALOX5APGPR119FEN1CHEK2
SCHEMBL2895814 0.89 ALOX5AP (0.44) ALOX5APGPR119FEN1PRMT5
SCHEMBL2889418 0.82 GPR119 (0.46) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL4316987 0.80 GPR119 (0.51) ALOX5APGPR119FEN1HRH2HRH1
SCHEMBL2889380 0.79 GPR119 (0.49) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL4326309 0.79 GPR119 (0.49) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL4314692 0.79 GPR119 (0.49) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL6535548 0.79 GPR119 (0.49) ALOX5APGPR119FEN1CHEK2HRH2
SCHEMBL6535537 0.79 GPR119 (0.49) ALOX5APGPR119FEN1CHEK2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 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 (1 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-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTB4R2 ALOX5AP 17/4885GPR119 1290/4885FEN1 4374/4885

“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.