SCHEMBL13799189

SCHEMBL13799189

CCOC(=O)C(Cc1ccccc1C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ ADORA1 P30542 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ S1PR4 O95977 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ XBP1 P17861 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NFKB1 P19838 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
SCHEMBL14464224 0.90 ALDH1A1 (0.39) MMP13EPHX2ADORA1ALDH1A1JAK2
SCHEMBL4092431 0.88 MMP13 (0.39) MMP13ADORA1ALDH1A1LMNAAAK1
SCHEMBL7435174 0.87 MMP13 (0.44) MMP13PPARGPPARAALDH1A1JAK2
SCHEMBL6600202 0.86 MMP8 (0.46) MMP13EPHX2ADORA1PPARGALDH1A1
SCHEMBL4092235 0.79 ALDH1A1 (0.38) MMP13ADORA1ALDH1A1LMNAL3MBTL1
SCHEMBL13799190 0.79 ALDH1A1 (0.38) MMP13ADORA1ALDH1A1LMNAL3MBTL1
SCHEMBL13479873 0.77 MMP13 (0.37) MMP13ADORA1ALDH1A1LMNAAAK1
SCHEMBL2386629 0.75 ITGA4 (0.41) EPHX2ALDH1A1JAK2S1PR4LMNA
SCHEMBL992429 0.74 REN (0.43) MMP13ALDH1A1L3MBTL1ITGA4ITGB7
SCHEMBL28870472 0.74 ALDH1A1 (0.42) EPHX2PPARGPPARAALDH1A1LMNA

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 5 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-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
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
WO-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 — — 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 (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 MMP13 1271/4885EPHX2 1067/4885ADORA1 3667/4885

“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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