SCHEMBL5720992

SCHEMBL5720992

CCCOC(=O)CC(N)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TOP2A P11388 2/20 0.41
CDC25B P30305 1/20 0.41
CDYL Q9Y232 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
LTC4S Q16873 1/20 0.39

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
SCHEMBL2298638 0.83 CYP2C19 (0.47) CNR1CNR2HPGDALDH1A1METAP2
SCHEMBL5720912 0.83 MAPK1 (0.47) HPGDALDH1A1TOP2AMAPK1
SCHEMBL5720940 0.82 ALDH1A1 (0.42) HPGDALDH1A1TOP2AMAPK1
SCHEMBL5720915 0.81 ALDH1A1 (0.41) HPGDALDH1A1TOP2AMAPK1
SCHEMBL5720854 0.81 POLB (0.44) ALDH1A1MAPK1HTT
SCHEMBL5720865 0.81 ALDH1A1 (0.41) HPGDALDH1A1TOP2AMAPK1CYP2C9
SCHEMBL5720970 0.81 CASP1 (0.47) ALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL5720994 0.81 MAPK1 (0.48) ALDH1A1MAPK1
SCHEMBL5720819 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL5720804 0.78 CYP1A2 (0.44) CNR1HPGDALDH1A1MAPK1CYP2C9

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 CNR1 259/4885CNR2 789/4885HPGD 2174/4885

“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.