SCHEMBL5081739

SCHEMBL5081739

CCN(CC)C(=O)C12CC3CC(C(=O)N(CC)CC)(C1)CC(C(=O)N(CC)CC)(C3)C2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 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
SCHEMBL5081738 0.93 GAA (0.55) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5080904 0.93 GAA (0.55) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5567730 0.88 GAA (0.78) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5081795 0.84 GAA (0.52) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6140108 0.83 GAA (0.67) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5569071 0.82 GAA (0.69) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5078684 0.77 GAA (0.46) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5080935 0.77 GAA (0.46) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5081758 0.77 GAA (0.46) GAAALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL10723899 0.70 GAA (0.51) GAAALDH1A1SMN1; SMN2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20060264667-A1 Adamantanetricarboxylic acid derivatives NAGANO SHINYA 2006-11-23 US disclosed
US-7102027-B2 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1505053-A1 Adamantanetricarboxylic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2005-02-09 EP disclosed
US-20040242923-A1 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 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 (3 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-20040242923-A1 Adamantanetricarboxylic acid derivatives HCAR1, CA1, ALDH7A1 GAA 1492/4885ALDH1A1 13/4885SMN1; SMN2 2424/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 GAA 4582/4885ALDH1A1 179/4885SMN1; SMN2 3372/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 GAA 874/4885ALDH1A1 23/4885SMN1; SMN2 2289/4885

“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.