SCHEMBL3412306

SCHEMBL3412306

CCC[N+](C)(CCC)CCC.COS(=O)(=O)[O-]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RECQL P46063 2/20 0.34
BBOX1 O75936 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34

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
Tributylmethylammonium SCHEMBL306587 0.86 RECQL (0.41) POLBRECQLBBOX1GLAHPGD
SCHEMBL17237452 0.86 POLB (0.46) POLBRECQLBBOX1GLAHPGD
Sulfuric Acid SCHEMBL8397794 0.85 BBOX1 (0.39) RECQLBBOX1GLAHPGDTSHR
SCHEMBL11291479 0.85 RECQL (0.44) RECQLGLAHPGDTSHRMAPK1
Tetrapropylammonium SCHEMBL5570492 0.83 SLC22A1 (0.50) POLBRECQLBBOX1GLAHPGD
Sulfuric Acid Dimethyl Ester SCHEMBL27687755 0.83 SLC22A1 (0.30) TSHR
SCHEMBL11290328 0.83 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2995385 0.83 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4665831 0.83 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10588897 0.83 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362022-B1 METHOD FOR PRODUCING ORTHOCARBONIC ACID TRIALKYL ESTERS BASF AG (DE) 2007-11-28 EP claimed
US-7192512-B2 Method for producing orthocarbonic acid trialkyl esters BASF AKTIENGESELLSCHAFT (DE) 2007-03-20 US claimed
US-20030183534-A1 Method for producing orthocarbonic acid trialkyl esters BASF AKTIENGESELLSCHAFT (DE) 2003-10-02 US claimed
US-7863486-B2 Electrochemical preparation of sterically hindered amines BASF SE (DE) 2011-01-04 US disclosed
EP-2041336-B1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2010-12-29 EP disclosed
US-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2009-10-08 US disclosed
EP-2041336-A2 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2009-04-01 EP disclosed
CN-101137635-A Method for producing alkoxylated 2,5-dihydrofuran but-2-ene derivatives or tetra-1,1,4,4-alkoxylated but-2-ene derivatives BASF AG (DE) 2008-03-05 CN disclosed
WO-2008003620-A2 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2008-01-10 WO disclosed
US-4288300-A IN ELECTROLYTIC CELL HAVING ALKALI METAL OR TETRAALKYLAMMONIUM ALKOSULFATE AS ELECTROLYTE HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
EP-0019226-A1 Process for preparing N-(alpha-alkoxyethyl)-carboxylic acid amides HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-26 EP 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-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES AOC2, CYCS, SCO2 POLB 571/4885RECQL 2277/4885BBOX1 486/4885

“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.