SCHEMBL5720985

SCHEMBL5720985

CCCCOC(=O)CC(N)c1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 5/20 0.41
PTGES O14684 4/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
ESR1 P03372 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
SCHEMBL5720994 0.92 MAPK1 (0.48) TDP1ALOX5PTGESPPARGPPARA
SCHEMBL5720873 0.89 TSHR (0.46) L3MBTL1TSHRTDP1MAPK1MEN1
SCHEMBL5720989 0.82 CYP1A2 (0.42) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL5720950 0.81 TSHR (0.44) L3MBTL1TSHRTDP1MAPK1MEN1
SCHEMBL5720983 0.81 TSHR (0.44) L3MBTL1TSHRTDP1MAPK1MEN1
SCHEMBL5720829 0.81 CASP1 (0.45) L3MBTL1TSHRTDP1MAPK1MEN1
SCHEMBL5720874 0.81 TSHR (0.44) L3MBTL1TSHRTDP1MAPK1MEN1
SCHEMBL5720966 0.81 TSHR (0.44) L3MBTL1TSHRTDP1PPARGPPARA
SCHEMBL5720912 0.80 MAPK1 (0.47) L3MBTL1TSHRTDP1MAPK1ALDH1A1
SCHEMBL15630908 0.80 NLRP3 (0.38) L3MBTL1MAPK1ALDH1A1HSD17B10LMNA

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 L3MBTL1 3001/4885TSHR 800/4885TDP1 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.