SCHEMBL52439

SCHEMBL52439

Cc1ccccc1CC1(Cc2ccccc2C)CN(CCCS(=O)(=O)O)Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 2/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL51655 0.85 SIGMAR1 (0.34) MEN1HTR1ACYP3A4PRMT5WDR77
SCHEMBL52067 0.84 HTR7 (0.35) L3MBTL1HTR7HTR1ADRD2HRH1
SCHEMBL51609 0.82 ALDH1A1 (0.38) GAAMEN1KMT2AKDM4EPRMT5
SCHEMBL52657 0.81 ALDH1A1 (0.41) HTR7CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL51395 0.80 ALDH1A1 (0.43) HTR7CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL52616 0.79 ALDH1A1 (0.45) HTR7CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL51659 0.76 MEN1 (0.38) MEN1HTR7HTR2C
SCHEMBL52356 0.74 CYP3A4 (0.32) MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2168243 0.72 ALDH1A1 (0.50) HTR7HTR1ADRD2HTR2CHRH1
SCHEMBL51966 0.70 HRH3 (0.37) L3MBTL1GAAMEN1HTR7KDM4E

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-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
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US 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 L3MBTL1 4804/4885GAA 670/4885POLB 598/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO L3MBTL1 3990/4885GAA 69/4885POLB 215/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT L3MBTL1 4804/4885GAA 670/4885POLB 598/4885

“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.