SCHEMBL5081795

SCHEMBL5081795

CCN(CC)C(=O)C12CC3(C(=O)N(CC)CC)CC(C(=O)N(CC)CC)(C1)CC(C(=O)N(CC)CC)(C2)C3

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
SLC6A4 P31645 6/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
SLC6A2 P23975 6/20 0.36
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5078684 0.91 GAA (0.46) GAASLC6A4LMNASLC6A2ALDH1A1
SCHEMBL5081758 0.91 GAA (0.46) GAASLC6A4LMNASLC6A2ALDH1A1
SCHEMBL5080935 0.91 GAA (0.46) GAASLC6A4LMNASLC6A2ALDH1A1
SCHEMBL5081739 0.84 GAA (0.62) GAASLC6A4LMNASLC6A2ALDH1A1
SCHEMBL5567730 0.81 GAA (0.78) GAALMNAALDH1A1
SCHEMBL5081738 0.78 GAA (0.55) GAASLC6A4SLC6A2ALDH1A1SLC6A3
SCHEMBL5080904 0.78 GAA (0.55) GAASLC6A4SLC6A2ALDH1A1SLC6A3
SCHEMBL6140108 0.75 GAA (0.67) GAALMNAALDH1A1
SCHEMBL10723899 0.73 GAA (0.51) GAASLC6A4LMNAMMP1MMP2
SCHEMBL5027565 0.70 SLC6A4 (0.37) GAASLC6A4LMNASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
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-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 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-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 (2 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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 GAA 4582/4885SLC6A4 1798/4885LMNA 3440/4885
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 GAA 3704/4885SLC6A4 1703/4885LMNA 323/4885

“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.