SCHEMBL2018680

SCHEMBL2018680

COc1ccc(CO)cc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 7/20 0.40
BCHE P06276 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LDHA P00338 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL1362996 0.82 POLB (0.51) ALDH1A1MEN1KMT2AALOX15HTT
SCHEMBL1845830 0.80 MEN1 (0.52) ALDH1A1MEN1KMT2AACHEBCHE
SCHEMBL1847131 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL356816 0.78 MEN1 (0.51) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL1163554 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AACHEHTT
SCHEMBL2467964 0.76 TSHR (0.57) ALDH1A1HTTGAALMNATSHR
SCHEMBL18264884 0.75 PKM (0.46) ALDH1A1MEN1KMT2APKMALOX15
SCHEMBL1742531 0.75 PDE4A (0.50) ALDH1A1ALOX15ACHEGAATSHR
SCHEMBL186800 0.75 MEN1 (0.53) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL17236366 0.74 NPC1 (0.41) ACHEHTT

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 ALDH1A1 1716/4885MEN1 4795/4885KMT2A 1333/4885

“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.