SCHEMBL422019

SCHEMBL422019

CC(=O)OC(Cc1ccc(O)cc1)C(N)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.51
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
HDAC8 Q9BY41 2/20 0.40
LNPEP Q9UIQ6 2/20 0.39
ERAP2 Q6P179 1/20 0.39
DPP4 P27487 1/20 0.37

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
SCHEMBL421632 0.86 TAAR1 (0.53) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL421687 0.86 ALPI (0.51) SLC7A5TAAR1SLC6A2
SCHEMBL422021 0.84 KDM4E (0.55) SLC7A5ESR1SLC6A2
SCHEMBL2603687 0.76 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL12285673 0.76 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL8279093 0.76 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2
Tyrosine SCHEMBL1356958 0.73 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2
Tyrosine SCHEMBL1356957 0.73 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2
SCHEMBL321221 0.72 SLC7A5 (0.61) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL4145000 0.72 SLC7A5 (0.56) SLC7A5ESR1ESR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 SLC7A5 3501/4885ESR1 3905/4885ESR2 2107/4885

“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.