SCHEMBL5720809

SCHEMBL5720809

CCCOC(=O)CC(N)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL5720905 0.92 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1KMT2ALMNA
SCHEMBL15601153 0.90 LMNA (0.47) ALDH1A1TDP1KMT2ALMNATP53
SCHEMBL5720970 0.83 CASP1 (0.47) ALDH1A1L3MBTL1KMT2ALMNATP53
SCHEMBL5720928 0.80 CYP2C9 (0.41) ALDH1A1TDP1L3MBTL1KMT2ALMNA
SCHEMBL31751628 0.79 TDP1 (0.44) ALDH1A1TDP1KMT2AMEN1HPGD
SCHEMBL5720806 0.78 EPHX2 (0.41) ALDH1A1KMT2ATP53MEN1HPGD
SCHEMBL5720804 0.78 CYP1A2 (0.44) ALDH1A1KMT2ALMNATP53MEN1
SCHEMBL5720979 0.77 SLC6A3 (0.40) ALDH1A1LMNAHTT
SCHEMBL5721001 0.76 LMNA (0.50) TDP1KMT2ALMNATP53HTT
SCHEMBL5721003 0.76 LMNA (0.50) TDP1KMT2ALMNATP53HTT

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 258/4885TDP1 4084/4885L3MBTL1 3001/4885

“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.