SCHEMBL6080968

SCHEMBL6080968

CC(NC(=O)Cc1ccc(OC(C)(C)C(=O)O)cc1)c1ccccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 5/20 0.45
ABCC8 Q09428 3/20 0.43
SLC22A1 O15245 1/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
NR1I3 Q14994 1/20 0.43
ABCC2 Q92887 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL6081658 0.91 ABCC8 (0.51) ALDH1A1CYP3A4LMNAABCC8SLC22A1
SCHEMBL6080878 0.90 ABCC8 (0.52) ALDH1A1CYP3A4LMNAABCC8SLC22A1
SCHEMBL6081097 0.89 LMNA (0.42) ALDH1A1CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL5792046 0.89 LMNA (0.56) ALDH1A1CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL5793154 0.81 ABCC8 (0.64) CYP3A4LMNAABCC8SLC22A1ABCC3
SCHEMBL5809268 0.80 ABCC8 (0.66) CYP3A4LMNAABCC8SLC22A1ABCC3
SCHEMBL5792755 0.80 KCNQ2 (0.51) CYP3A4LMNAABCC8SLC22A1ABCC3
SCHEMBL6080740 0.80 ABCC8 (0.50) CYP3A4CYP1A2CYP2C19LMNAABCC8
SCHEMBL6080343 0.80 ABCC8 (0.51) CYP3A4CYP1A2CYP2C19LMNAABCC8
SCHEMBL5792336 0.79 ABCC8 (0.49) ALDH1A1CYP3A4LMNAABCC8SLC22A1

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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US claimed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN ALDH1A1 845/4885CYP3A4 208/4885CYP1A2 133/4885

“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.