SCHEMBL5151883

SCHEMBL5151883

CC(C)(C)OC(=O)N1CCCC1COc1cccc(CC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
FEN1 P39748 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
KLK7 P49862 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
CASP3 P42574 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL5151878 1.00 ALOX5AP (0.48) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18616623 0.90 CHRNB4 (0.49) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18616624 0.90 CHRNB4 (0.49) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18295362 0.89 CHRNB4 (0.45) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18295390 0.89 CHRNB4 (0.45) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL938053 0.86 ABHD6 (0.50) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL27936838 0.86 ABHD6 (0.50) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL938055 0.86 ABHD6 (0.50) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9241908 0.84 ALOX5AP (0.51) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8247133 0.84 ALOX5AP (0.51) ALOX5APCHRNB4CHRNA3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 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 (2 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALOX5AP 246/4885CHRNB4 1075/4885CHRNA3 1678/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALOX5AP 257/4885CHRNB4 1564/4885CHRNA3 2087/4885

“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.