SCHEMBL56267

SCHEMBL56267

N#CC(Cc1ccccc1)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNA3 P22001 1/20 0.39
CYP2D6 P10635 3/20 0.39
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10625675 0.88 ATM (0.47) ATMCYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL9447405 0.87 KIF11 (0.46) ATMCYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL9447544 0.85 ALDH1A1 (0.48) ATMCYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL9632250 0.80 ATM (0.41) ATMCYP1A2CYP2C9CYP2C19EBP
SCHEMBL28680251 0.80 CYP1A2 (0.46) ATMCYP1A2CYP2C19SIGMAR1TAAR1
SCHEMBL6894804 0.78 ESR1 (0.60) ATMCYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL1343715 0.78 ATM (0.81) ATMCYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL9804729 0.77 CYP19A1 (0.52) ATMKIF11CYP3A4
SCHEMBL13271382 0.76 CYP2D6 (0.44) ATMCYP2C19EBPSIGMAR1DRD2
SCHEMBL10586611 0.75 ATM (0.50) ATMCYP1A2CYP2C9CYP2C19CYP1A1

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 18 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-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-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
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2011-12-29 US disclosed
CN-101218333-B Organic catalysts with enhanced enzyme compatibility PROCTER & GAMBLE 2010-12-08 CN 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-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-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-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
CN-101218333-A Organic catalysts with enhanced enzyme compatibility PROCTER & GAMBLE (US) 2008-07-09 CN disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US 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 ATM 2740/4885CYP1A2 48/4885CYP2C9 106/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT ATM 2740/4885CYP1A2 48/4885CYP2C9 106/4885

“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.