SCHEMBL51394

SCHEMBL51394

CCCCCC1(CCCCC)C[N+](CCCS(=O)(=O)O)=Cc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL52615 0.99 S1PR2 (0.32) USP2S1PR2S1PR1S1PR3
SCHEMBL52656 0.96 SLC10A2 (0.30)
SCHEMBL51658 0.77 OPRL1 (0.31)
SCHEMBL52355 0.70
SCHEMBL2502019 0.68 IP6K1 (0.31)
SCHEMBL652975 0.67 MAOB (0.41)
SCHEMBL29445706 0.67 MAOB (0.41)
SCHEMBL51965 0.67 ALDH1A1 (0.31)
SCHEMBL51395 0.67 ALDH1A1 (0.43)
Toluene SCHEMBL11498470 0.65 CA12 (0.42) S1PR2S1PR1S1PR3

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 9 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-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 USP2 1512/4885S1PR2 3375/4885S1PR1 3728/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT USP2 1512/4885S1PR2 3375/4885S1PR1 3728/4885

“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.