SCHEMBL13659728

SCHEMBL13659728

CCOC(=O)C1(C(=O)OCC)CC[C@H](N[C@@H](C)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.41
NPY1R P25929 4/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
KCNA3 P22001 1/20 0.40
EPHX1 P07099 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 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
SCHEMBL31141108 0.75 ALDH1A1 (0.54) GAATSHRALDH1A1KCNH2EPHX1
SCHEMBL13920529 0.75 ALDH1A1 (0.54) GAAL3MBTL1KDM4ETSHRALDH1A1
SCHEMBL13920527 0.75 ALDH1A1 (0.54) GAAL3MBTL1KDM4ETSHRALDH1A1
SCHEMBL13483586 0.74 MME (0.50) L3MBTL1KDM4ETSHRALDH1A1CYP3A4
SCHEMBL2083186 0.74 APAF1 (0.43) GAATSHRSLC6A4KCNH2CYP3A4
SCHEMBL2083187 0.74 APAF1 (0.43) GAATSHRSLC6A4KCNH2CYP3A4
Hydrochloric Acid SCHEMBL3770055 0.74 GAA (0.51) GAAL3MBTL1NPY1RSLC6A4KCNH2
SCHEMBL4291996 0.72 THRB (0.42) GAAL3MBTL1TSHRALDH1A1LMNA
SCHEMBL12986869 0.71 KCNQ3 (0.51) GAAL3MBTL1KDM4ETSHRALDH1A1
SCHEMBL3258696 0.71 SMN1; SMN2 (0.49) KDM4ETSHRALDH1A1SLC6A4KCNH2

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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 GAA 3986/4885L3MBTL1 4812/4885KDM4E 2051/4885

“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.