SCHEMBL52066

SCHEMBL52066

O=S(=O)(O)CCC[N+]1=Cc2ccccc2C(Cc2ccccc2)(Cc2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL51654 0.92 SMN1; SMN2 (0.32)
SCHEMBL51965 0.85 ALDH1A1 (0.31) HTTNPSR1ALDH1A1
SCHEMBL14871623 0.82 ALDH1A1 (0.32) HTTNPSR1ALDH1A1
SCHEMBL51394 0.81 USP2 (0.31)
SCHEMBL52615 0.80 S1PR2 (0.32)
SCHEMBL51658 0.79 OPRL1 (0.31)
SCHEMBL29445706 0.69 MAOB (0.41)
SCHEMBL652975 0.69 MAOB (0.41)
SCHEMBL9173625 0.63 PABPC1 (0.45) HTTALDH1A1LTA4HLMNA
SCHEMBL249113 0.62 CA2 (0.56) ALDH1A1LMNA

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
US-8426596-B2 Process of producing bleach boosters BASF AKTIENGESELLSCHAFT (DE) 2013-04-23 US disclosed
US-8129531-B2 Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization BASF AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2011-12-29 US disclosed
EP-1891192-B1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY PROCTER & GAMBLE (US) 2009-12-16 EP disclosed
US-20090149366-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY MIRACLE GREGORY SCOT 2009-06-11 US disclosed
US-7504371-B2 Organic catalyst with enhanced enzyme compatibility THE PROCTER & GAMBLE COMPANY (US) 2009-03-17 US disclosed
US-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1896561-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2008-03-12 EP disclosed
EP-1891192-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY The Procter and Gamble Company (US) 2008-02-27 EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2007001261-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO disclosed
WO-2006134144-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 WO disclosed
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2006-12-21 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 (3 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-20080214819-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT HTT 383/4885NPSR1 3940/4885ALDH1A1 1143/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO HTT 3296/4885NPSR1 4609/4885ALDH1A1 527/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT HTT 383/4885NPSR1 3940/4885ALDH1A1 1143/4885

“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.