SCHEMBL6104238

SCHEMBL6104238

C/C(=C\c1cc(Br)ccc1N1CC(C)C(C)C1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
RBP4 P02753 1/20 0.36
BRD4 O60885 1/20 0.36
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CUL4A Q13619 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B3 P37058 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6104243 1.00 AKR1C3 (0.36) AKR1C3RBP4BRD4MYCNR4A1
SCHEMBL6102807 0.84 RBP4 (0.39) AKR1C3RBP4MYCNR4A1MEN1
SCHEMBL6102800 0.84 RBP4 (0.39) AKR1C3RBP4MYCNR4A1MEN1
SCHEMBL6105614 0.84 GAA (0.42) RBP4NR4A1ALDH1A1KDM4EGAA
SCHEMBL6105619 0.84 GAA (0.42) RBP4NR4A1ALDH1A1KDM4EGAA
SCHEMBL6104366 0.84 KDM4E (0.47) RBP4NR4A1ALDH1A1KDM4EGAA
SCHEMBL6104371 0.84 KDM4E (0.47) RBP4NR4A1ALDH1A1KDM4EGAA
SCHEMBL6104621 0.83 KDM4E (0.40) RBP4MEN1KMT2AALDH1A1KDM4E
SCHEMBL6102964 0.83 KDM4E (0.40) RBP4MEN1KMT2AALDH1A1KDM4E
SCHEMBL6104623 0.83 KDM4E (0.40) RBP4MEN1KMT2AALDH1A1KDM4E

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 AKR1C3 69/4885RBP4 3151/4885BRD4 1948/4885

“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.