SCHEMBL6103005

SCHEMBL6103005

CC(C)CN(C)c1ccc(Br)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A3 P47895 2/20 0.37
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 2/20 0.33
ALDH3A1 P30838 1/20 0.33
PTPN1 P18031 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
DNM1 Q05193 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6105579 0.87 ERN1 (0.43) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL6104215 0.83 ALDH1A3 (0.48) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL6105516 0.82 KDM4E (0.38) PTGDR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL6105521 0.82 KDM4E (0.38) PTGDR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL6103197 0.81 ALDH3A1 (0.47) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL3209434 0.79 ERN1 (0.52) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL31457111 0.79 ERN1 (0.52) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL6102737 0.79 ALDH1A3 (0.46) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL6104478 0.75 ERN1 (0.41) ERN1PTGDR2ALDH1A3CYP2A6ALDH1A1
SCHEMBL6517350 0.75 PTGDR2 (0.40) ERN1PTGDR2ALDH1A3ALDH1A1ALDH3A1

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-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 ERN1 1319/4885PTGDR2 1264/4885ALDH1A3 3397/4885

“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.