SCHEMBL5078724

SCHEMBL5078724

O=C(O)C12CC3CC(C(=O)Oc4ccccc4)(C1)CC(C(=O)Oc1ccccc1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
XBP1 P17861 1/20 0.49
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.40
HSD11B2 P80365 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
P2RX7 Q99572 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL5080864 1.00 GAA (0.49) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5082277 0.95 MAPT (0.53) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5567903 0.87 GAA (0.54) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5082335 0.86 MAPT (0.42) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5081791 0.86 MAPT (0.42) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5084629 0.86 MAPT (0.42) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5567915 0.85 GAA (0.58) GAAMAPTXBP1KDM4EPOLB
SCHEMBL5078650 0.84 MAPT (0.46) GAAMAPTXBP1KDM4EPOLB
SCHEMBL1634162 0.81 GAA (0.72) GAAMAPTXBP1KDM4EPOLB
SCHEMBL282760 0.75 PKM (0.42) GAAKDM4ELMNAL3MBTL1ALDH1A1

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 1492/4885MAPT 2926/4885XBP1 1683/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 GAA 4582/4885MAPT 3786/4885XBP1 2421/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 GAA 874/4885MAPT 2765/4885XBP1 1532/4885

“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.