SCHEMBL31209124

SCHEMBL31209124

CC1(O)CCCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
USP30 Q70CQ3 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PREP P48147 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL4296400 0.85 HPGD (0.43) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL4296393 0.85 HPGD (0.43) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31209057 0.85 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL34473834 0.85 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL13085760 0.85 HPGD (0.55) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL4264465 0.85 HPGD (0.55) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL14196264 0.85 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL18609193 0.84 HPGD (0.46) HPGDEPHX1MAPTRECQLKDM4E
SCHEMBL19539234 0.84 HPGD (0.41) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL1094778 0.84 HPGD (0.57) HPGDEPHX1MAPTMEN1ALDH1A1

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HPGD 2249/4885EPHX1 2715/4885MAPT 4453/4885

“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.