SCHEMBL1003534

SCHEMBL1003534

CC(C)(C)N(CCCCCI)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3399507 0.92 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL3397667 0.83 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15263236 0.82 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL11060568 0.82 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2174381 0.80 CHRM2 (0.41) MEN1KMT2ALMNAALDH1A1
SCHEMBL1149044 0.80 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL22321638 0.80 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1
SCHEMBL2121005 0.80 CHRM2 (0.41) MEN1KMT2ALMNAALDH1A1
SCHEMBL16401965 0.80 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2125590 0.80 CHRM2 (0.41) MEN1KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 WO 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-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY SLC10A2, KCNN3, KCNN2 MEN1 1222/4885KMT2A 1714/4885HTT 571/4885

“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.