SCHEMBL5720865

SCHEMBL5720865

CCCOC(=O)CC(N)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
CYP26A1 O43174 1/20 0.37
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TOP2A P11388 1/20 0.35
GRM6 O15303 1/20 0.35
PIN1 Q13526 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5720950 0.92 TSHR (0.44) ALDH1A1LMNAMAPK1CYP2C9CYP2C19
SCHEMBL5720912 0.85 MAPK1 (0.47) ALDH1A1LMNAMAPK1TSHRTOP2A
SCHEMBL5720940 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1TSHRTOP2A
SCHEMBL5720915 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1TSHRTOP2A
SCHEMBL5720970 0.83 CASP1 (0.47) ALDH1A1LMNAMAPK1CYP2C9CYP2C19
SCHEMBL5720819 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1TSHRIDO1
SCHEMBL5720854 0.83 POLB (0.44) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5720992 0.81 CNR1 (0.43) ALDH1A1MAPK1CYP2C9CYP2C19HTT
SCHEMBL5720994 0.80 MAPK1 (0.48) ALDH1A1LMNAMAPK1GRM6TDP1
SCHEMBL5720971 0.79 LMNA (0.49) ALDH1A1LMNATOP2AGAASMN1; SMN2

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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 ALDH1A1 258/4885LMNA 3246/4885MAPK1 1197/4885

“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.