SCHEMBL6561572

SCHEMBL6561572

CC(C)(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CN(CC(=O)OC(C)(C)C)CC(Cc1ccc([N+](=O)[O-])cc1)NC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.46
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
NR1H3 Q13133 1/20 0.38
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL6561135 0.78 NR1D1 (0.42) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL6563610 0.75 LMNA (0.36) LMNAPPARGPPARAMMP1MMP2
SCHEMBL3780514 0.75 NR1D1 (0.55) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL15388614 0.75 NR1D1 (0.55) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL3782617 0.71 NR1D1 (0.52) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL3780516 0.71 NR1D1 (0.52) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL15388283 0.71 NR1D1 (0.52) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL9924678 0.70 NR1D1 (0.48) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL7804379 0.70 NR1D1 (0.50) NR1D1ITGA4ITGB7NR1H3LMNA
SCHEMBL6561328 0.70 NR1D1 (0.40) NR1D1ITGA4ITGB7NR1H3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 US disclosed
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-10-16 US disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 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 (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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA NR1D1 3982/4885ITGA4 1297/4885ITGB7 2823/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE NR1D1 3672/4885ITGA4 3054/4885ITGB7 3706/4885

“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.