SCHEMBL2352255

SCHEMBL2352255

NCCC(c1ccccc1)P(=O)(O)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
ACP3 P15309 3/20 0.58
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ERAP1 Q9NZ08 3/20 0.47
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 2/20 0.47
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
HRH1 P35367 1/20 0.42
LAP3 P28838 2/20 0.41

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
SCHEMBL2171120 0.86 CYP2D6 (0.62) CYP2D6ACP3POLBTSHRALDH1A1
SCHEMBL2354091 0.83 ACP3 (0.44) CYP2D6ACP3POLBHRH1
SCHEMBL2354039 0.81 GABBR2 (0.45) CYP2D6ACP3POLBHRH1
SCHEMBL2170901 0.80 CYP2D6 (0.62) CYP2D6ACP3POLBTSHRALDH1A1
SCHEMBL2352723 0.80 ACP3 (0.46) CYP2D6ACP3POLBANPEPHRH1
Hydrochloric Acid SCHEMBL2392993 0.78 ACP3 (0.45) CYP2D6ACP3POLBHRH1
SCHEMBL2392797 0.78 ACP3 (0.45) CYP2D6ACP3POLBANPEPHRH1
SCHEMBL2352708 0.77 ACP3 (0.44) CYP2D6ACP3ALDH1A1ERAP1ANPEP
SCHEMBL2352039 0.73 ACP3 (0.46) ACP3POLBALDH1A1ANPEPHRH1
SCHEMBL2349803 0.72 POLB (0.97) CYP2D6POLBTSHRERAP1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
CN-102186866-B Method for producing mono amino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT INT LTD 2015-04-29 CN disclosed
EP-2373666-B1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
US-8604232-B2 Method for producing monoamino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
EP-2352741-B1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP disclosed
EP-2373666-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-10-12 EP disclosed
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
EP-2352741-A1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352736-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
WO-2010051892-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051894-A1 METHOD FOR PRODUCING MONO AMINO-FUNCTIONALISED DIALKYLPHOSPHINITE ACIDS ESTERS AND SALTS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051886-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 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 (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-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, DAO CYP2D6 1054/4885ACP3 423/4885POLB 1420/4885
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof DAO, HAO2, AOC1 CYP2D6 998/4885ACP3 627/4885POLB 1480/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 CYP2D6 898/4885ACP3 970/4885POLB 1736/4885

“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.