SCHEMBL1401913

SCHEMBL1401913

NCOC(=O)CCCC(=O)OCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
TSHR P16473 4/20 0.46
DGKA P23743 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
PAM P19021 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.35
CNR1 P21554 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
GAA P10253 1/20 0.33
DNM1 Q05193 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 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
SCHEMBL27713953 0.92 DGKA (0.50) CYP1A2TSHRDGKAPAMLMNA
SCHEMBL1401914 0.90 TSHR (0.54) CYP1A2TSHRSMYD3PAMLMNA
SCHEMBL6242798 0.88 CYP1A2 (0.44) CYP1A2TSHRDGKAPAMLMNA
SCHEMBL29037422 0.87
SCHEMBL27873348 0.85
SCHEMBL27713954 0.83 LMNA (0.56) CYP1A2TSHRPAMLMNAALDH1A1
SCHEMBL5964964 0.83 DGKA (0.65) CYP1A2TSHRDGKAPAMLMNA
SCHEMBL10724568 0.82 SMYD3 (0.44) CYP1A2TSHRDGKASMYD3LMNA
SCHEMBL28102551 0.82 ALDH1A1 (0.40) CYP1A2TSHRDGKASMYD3LMNA
SCHEMBL6372375 0.81 DGKA (0.69) CYP1A2TSHRDGKAPAMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292095-A2 Pesticide compositions containing a dicarboxylic acid or derivative thereof Monsanto Technology LLC (US) 2011-03-09 EP disclosed
US-7883715-B2 Mixture containing surfactants; intensifying herbicide MONSANTO TECHNOLOGY LLC (US) 2011-02-08 US disclosed
US-7771736-B2 Glyphosate formulations and their use for the inhibition of 5-enolpyruvylshikimate-3-phosphate synthase MONSANTO TECHNOLOGY LLC (US) 2010-08-10 US disclosed
EP-2172107-A2 Process for the preparation of a dry pesticidal composition containing a dicarboxylate component Monsanto Technology LLC (US) 2010-04-07 EP disclosed
US-7141532-B2 Process for the preparation of a dry pesticidal composition containing a dicarboxylate component MONSANTO TECHNOLOGY LLC (US) 2006-11-28 US disclosed
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed
EP-1542533-A2 PESTICIDE COMPOSITIONS CONTAINING DICARBOXYLIC ACIDS Monsanto Technology LLC (US) 2005-06-22 EP disclosed
EP-1538910-A2 PROCESS FOR THE PREPARATION OF A DRY PESTICIDAL COMPOSITION CONTAINING A DICARBOXYLATE COMPONENT Monsanto Technology LLC (US) 2005-06-15 EP disclosed
US-20040097372-A1 Pesticide compositions containing dicarboxylic acids MONSANTO TECHNOLOGY LLC 2004-05-20 US disclosed
US-20040077499-A1 Process for the preparation of a dry pesticidal composition containing a dicarboxylate component MONSANTO TECHNOLOGY LLC 2004-04-22 US disclosed
US-20040077608-A1 Glyphosate formulations and their use for the inhibition of 5-enolpyruvylshikimate-3-phosphate synthase MONSANTO TECHNOLOGY LLC 2004-04-22 US disclosed
WO-2004019681-A2 PESTICIDE COMPOSITIONS CONTAINING DICARBOXYLIC ACIDS MONSANTO TECHNOLOGY LLC (US) 2004-03-11 WO disclosed
WO-2004019684-A2 PROCESS FOR THE PREPARATION OF A DRY PESTICIDAL COMPOSITION CONTAINING A DICARBODYLATE COMPONENT MONSANTO TECHNOLOGY LLC (US) 2004-03-11 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-20040097372-A1 Pesticide compositions containing dicarboxylic acids DPP7, CTSC, DDT CYP1A2 2467/4885TSHR 2795/4885DGKA 2561/4885

“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.