SCHEMBL5382573

SCHEMBL5382573

CCCc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.60
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.46
KAT6A Q92794 2/20 0.45
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
STAT3 P40763 1/20 0.40
MEP1B Q16820 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL25961093 0.91 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11LOXL2PPARG
SCHEMBL12301533 0.89 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11LOXL2KAT6A
SCHEMBL31487557 0.88 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2PPARA
SCHEMBL7505386 0.88 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2PPARA
SCHEMBL7504785 0.86 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL31487728 0.86 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL14415229 0.85 CYP4A11 (0.68) SLC7A5CYP4F2CYP4A11LOXL2PPARG
SCHEMBL14838275 0.85 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL30873957 0.85 SLC7A5 (0.61) SLC7A5CYP4F2CYP4A11LOXL2PPARG
SCHEMBL3499880 0.84 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 SLC7A5 1489/4885CYP4F2 4104/4885CYP4A11 4392/4885

“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.