SCHEMBL421632

SCHEMBL421632

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC7A5 Q01650 1/20 0.53
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HDAC8 Q9BY41 2/20 0.41
LNPEP Q9UIQ6 2/20 0.40
ERAP2 Q6P179 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL422019 0.86 SLC7A5 (0.51) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL421973 0.85 ALPI (0.53) TAAR1SLC6A2SLC7A5
SCHEMBL422007 0.83 ALOX15 (0.56) SLC6A2SLC7A5ESR1MAPT
SCHEMBL5598391 0.75 SLC7A5 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL17062932 0.75 SLC7A5 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL2058586 0.75 SLC7A5 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
Tyrosine SCHEMBL1356958 0.75 SLC7A5 (0.86) TAAR1SLC6A2SLC7A5
Tyrosine SCHEMBL1356957 0.75 SLC7A5 (0.86) TAAR1SLC6A2SLC7A5
Hydrochloric Acid SCHEMBL2058585 0.74 SLC7A5 (0.57) TAAR1SLC6A2SLC7A5ESR1ESR2
Hydrochloric Acid SCHEMBL28139833 0.74 SLC7A5 (0.57) TAAR1SLC6A2SLC7A5ESR1ESR2

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 TAAR1 1323/4885SLC6A2 4267/4885SLC7A5 3501/4885

“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.