SCHEMBL5720868

SCHEMBL5720868

CCCOC(=O)CC(N)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP26A1 O43174 1/20 0.37
F10 P00742 2/20 0.37
AOC3 Q16853 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
LMNA P02545 1/20 0.36
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
ACP3 P15309 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL5720922 0.92 MEN1 (0.43) TDP1L3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5720885 0.86 KYNU (0.43) TDP1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5720795 0.85 POLB (0.45) KMT2ASMN1; SMN2ALDH1A1AOC3
SCHEMBL5720926 0.85 GBA1 (0.39) L3MBTL1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5720942 0.85 POLB (0.45) KMT2ASMN1; SMN2ALDH1A1AOC3
SCHEMBL5720896 0.85 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1F10F2
SCHEMBL5720806 0.85 EPHX2 (0.41) KMT2ASMN1; SMN2ALDH1A1AOC3
SCHEMBL5720971 0.84 LMNA (0.49) KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1138690 0.84 LMNA (0.49) KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27682265 0.84 LMNA (0.49) KMT2ASMN1; SMN2ALDH1A1LMNA

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 TDP1 4084/4885L3MBTL1 3001/4885KMT2A 4127/4885

“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.