SCHEMBL25449183

SCHEMBL25449183

CCCN(CC(C)O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX5 P09917 1/20 0.43
ABCB1 P08183 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3083608 0.87 CCR6 (0.58) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL13983628 0.84 CCR6 (0.43) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL12290092 0.84 CCR6 (0.43) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL18594775 0.84 CCR6 (0.52) CCR6PAX8ALDH1A1L3MBTL1MAPK1
Carbamic Acid SCHEMBL25282587 0.82 CCR6 (0.55) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL8900957 0.82 CCR6 (0.51) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL1568742 0.81 CCR6 (0.41) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL13661129 0.81 CCR6 (0.57) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL13049197 0.81 CCR6 (0.50) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL18057682 0.81 CCR6 (0.60) CCR6PAX8ALDH1A1L3MBTL1MAPK1

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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS CCR6 1061/4885PAX8 818/4885ALDH1A1 1860/4885

“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.