SCHEMBL5065706

SCHEMBL5065706

CC(C)(C)N(C(=O)O)[C@H](CO)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
GRIK1 P39086 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 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
SCHEMBL4064873 0.84 ALPI (0.43) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL5066181 0.84 ALPI (0.43) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL18344466 0.84 ALPI (0.43) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL1021850 0.81 LMNA (0.44) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL5069112 0.79 PPARG (0.41) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL2447894 0.78 SLC1A1 (0.45) TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9101145 0.78 KMT2A (0.52) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL16932215 0.77 MME (0.46) HTTTSHRALDH1A1LMNA
SCHEMBL16932216 0.77 MME (0.46) HTTTSHRALDH1A1LMNA
SCHEMBL14965962 0.76 GRIK1 (0.37) HTTTSHRGRIK1ALDH1A1CYP2C9

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 KMT2A 1852/4885MEN1 3151/4885HTT 2591/4885

“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.