SCHEMBL5081738

SCHEMBL5081738

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 5/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 4/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5080904 1.00 GAA (0.55) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5081739 0.93 GAA (0.62) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5569071 0.86 GAA (0.69) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5081758 0.83 GAA (0.46) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5078684 0.83 GAA (0.46) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5080935 0.83 GAA (0.46) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5567730 0.81 GAA (0.78) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5081795 0.78 GAA (0.52) GAAALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL282760 0.78 PKM (0.42) GAAALDH1A1CYP2D6KDM4EMAPK1
SCHEMBL6140108 0.77 GAA (0.67) GAAALDH1A1MEN1KMT2A

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 12 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-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 13/4885SLC6A2 2995/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 GAA 4582/4885ALDH1A1 179/4885SLC6A2 2059/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 GAA 874/4885ALDH1A1 23/4885SLC6A2 2678/4885

“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.