SCHEMBL1004544

SCHEMBL1004544

CC(C)CNCC(O)C(O)CNCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL64203 0.83
SCHEMBL21322340 0.81
SCHEMBL23665148 0.81
SCHEMBL12575017 0.81 ANPEP (0.44) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL7053000 0.81
SCHEMBL10674051 0.80 KDM4E (0.58) ANPEPADH1BADH1CADH1ATSHR
SCHEMBL24137997 0.80 KDM4E (0.58) ANPEPADH1BADH1CADH1ATSHR
Methane SCHEMBL9112529 0.79 ADH1B (0.47) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL399646 0.79
Ammonia Solution, Strong SCHEMBL12490708 0.79 ADH1B (0.47) ANPEPADH1BADH1CADH1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062872-B1 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions NOVARTIS AG (CH) 2015-12-09 EP claimed
US-7871602-B2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions ALCON, INC. (CH) 2011-01-18 US claimed
EP-2062872-A2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions Alcon Inc. (CH) 2009-05-27 EP claimed
EP-1692092-B1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON INC (CH) 2009-04-15 EP claimed
US-20090030085-A1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON, INC. (CH) 2009-01-29 US claimed
JP-2007513966-A 2007-05-31 JP claimed
EP-1692092-A2 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS Alcon, Inc. (CH) 2006-08-23 EP claimed
US-20050154065-A1 1,3-bis[(dimethyl,hydroxymethyl) methylamino]propane; antiseptic and disinfectant; preventing microbial contamination; multi-functional component for contact lens solution and multi-dose ophthalmic compositions ALCON, INC. 2005-07-14 US claimed
WO-2005056515-A2 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON, INC. (CH) 2005-06-23 WO claimed
EP-2062872-B1 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions NOVARTIS AG (CH) 2015-12-09 EP disclosed
US-7871602-B2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions ALCON, INC. (CH) 2011-01-18 US disclosed
US-7871602-B2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions ALCON, INC. (CH) 2011-01-18 US disclosed
EP-2062872-A2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions Alcon Inc. (CH) 2009-05-27 EP disclosed
EP-1692092-B1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON INC (CH) 2009-04-15 EP disclosed
US-20090030085-A1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON, INC. (CH) 2009-01-29 US disclosed
US-20090030085-A1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON, INC. (CH) 2009-01-29 US disclosed
US-7445771-B2 Use of bis-amines to enhance the antimicrobial activity of aqueous compositions ALCON, INC. (CH) 2008-11-04 US disclosed
EP-1692092-A2 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS Alcon, Inc. (CH) 2006-08-23 EP disclosed
US-20050154065-A1 1,3-bis[(dimethyl,hydroxymethyl) methylamino]propane; antiseptic and disinfectant; preventing microbial contamination; multi-functional component for contact lens solution and multi-dose ophthalmic compositions ALCON, INC. 2005-07-14 US disclosed
WO-2005056515-A2 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS ALCON, INC. (CH) 2005-06-23 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-20050154065-A1 1,3-bis[(dimethyl,hydroxymethyl) methylamino]propane; antiseptic and disinfectant; preventing microbial contamination; multi-functional component for contact lens solution and multi-dose ophthalmic compositions FHIT, PHOSPHO1, CUTA ANPEP 3165/4885ADH1B 4075/4885ADH1C 1493/4885
US-20090030085-A1 USE OF BIS-AMINES TO ENHANCE THE ANTIMICROBIAL ACTIVITY OF AQUEOUS COMPOSITIONS FHIT, NISCH, AAAS ANPEP 1479/4885ADH1B 2296/4885ADH1C 2348/4885

“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.