SCHEMBL5369331

SCHEMBL5369331

CC(C)(C)OC(=O)CC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
DRD2 P14416 2/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP19A1 P11511 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11A1 P05108 1/20 0.31
TBXAS1 P24557 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 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
SCHEMBL5370348 0.97 POLB (0.46) POLBHSD11B1ALDH1A1L3MBTL1NR1H2
SCHEMBL5363504 0.94 POLB (0.40) POLBHSD11B1ALDH1A1L3MBTL1NR1H2
SCHEMBL14525409 0.87 HSD11B1 (0.40) POLBHSD11B1ALDH1A1L3MBTL1DRD2
SCHEMBL6903251 0.82 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL5366727 0.81 MAPT (0.43) POLBHSD11B1ALDH1A1L3MBTL1GAA
SCHEMBL27860794 0.81 GAA (0.48) POLBHSD11B1ALDH1A1L3MBTL1PPIB
SCHEMBL5363620 0.81 HSD11B1 (0.40) POLBHSD11B1ALDH1A1DRD2SLC6A3
SCHEMBL5645793 0.79 OPRM1 (0.37) HSD11B1ALDH1A1DRD2GAA
SCHEMBL5366689 0.79 CYP2C19 (0.44) POLBHSD11B1ALDH1A1CYP3A4
SCHEMBL15897753 0.77 POLB (0.48) POLBHSD11B1ALDH1A1L3MBTL1PPIB

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-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 WO 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 POLB 4290/4885HSD11B1 453/4885ALDH1A1 354/4885

“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.