SCHEMBL5720950

SCHEMBL5720950

CCCCOC(=O)CC(N)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 3/20 0.40
ESR1 P03372 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.38
PDE4D Q08499 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 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
SCHEMBL5720865 0.92 ALDH1A1 (0.41) TSHRTDP1MEN1KMT2AALDH1A1
SCHEMBL5720873 0.86 TSHR (0.46) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720829 0.84 CASP1 (0.45) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720874 0.84 TSHR (0.44) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720966 0.84 TSHR (0.44) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720983 0.84 TSHR (0.44) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720985 0.81 L3MBTL1 (0.41) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720836 0.80 TSHR (0.49) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5697642 0.80 TSHR (0.49) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL5720989 0.79 CYP1A2 (0.42) TSHRL3MBTL1TDP1MEN1KMT2A

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 TSHR 800/4885L3MBTL1 3001/4885TDP1 4084/4885

“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.