SCHEMBL4092235

SCHEMBL4092235

CCOC(=O)C(Cc1ccccc1I)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ REN P00797 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ ATM Q13315 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
SCHEMBL13799190 1.00 ALDH1A1 (0.38) ALDH1A1GAARENITGA4ITGB7
SCHEMBL4092431 0.91 MMP13 (0.39) ALDH1A1GAARENITGA4ITGB7
SCHEMBL14464224 0.90 ALDH1A1 (0.39) ALDH1A1GAARENITGA4ITGB7
SCHEMBL6600202 0.87 MMP8 (0.46) ALDH1A1GAARENITGA4ITGB7
SCHEMBL3161587 0.83 ITGA4 (0.42) RENITGA4ITGB7MMP8POLB
SCHEMBL13479873 0.81 MMP13 (0.37) ALDH1A1GAARENITGA4ITGB7
SCHEMBL13799191 0.81 MMP8 (0.41) ALDH1A1GAAMMP8POLBNPY1R
SCHEMBL3171224 0.81 MMP8 (0.41) ALDH1A1GAAMMP8POLBNPY1R
SCHEMBL22457743 0.80 ITGB3 (0.45) ALDH1A1RENITGA4ITGB7MMP13
SCHEMBL30688558 0.80 ITGB3 (0.45) ALDH1A1RENITGA4ITGB7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — 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 (1 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A ALDH1A1 77/4885GAA 584/4885REN 988/4885

“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.

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