SCHEMBL2353543

SCHEMBL2353543

CCC(C)P(=O)(O)CCCN

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GABBR2 O75899 4/20 0.52
GABBR1 Q9UBS5 4/20 0.52
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
GABRR1 P24046 1/20 0.50
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL2487476 0.83 TRPM8 (0.61) GABBR2GABBR1GABRR1TRPM8
SCHEMBL29240388 0.81 TRPM8 (0.59) GABBR2GABBR1GABRR1TRPM8
SCHEMBL2171778 0.81 TRPM8 (0.43) CYP1A2MEN1KMT2ATRPM8
SCHEMBL2353070 0.80 CYP1A2 (0.57) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6356256 0.80 GABBR2 (0.57) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6354585 0.78 CYP1A2 (0.55) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL2487479 0.78 TRPM8 (0.48) TRPM8
Hydrochloric Acid SCHEMBL9340197 0.77 LMNA (0.56) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL1360213 0.76 TRPM8 (0.41) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6351470 0.75 CYP1A2 (0.52) CYP1A2MEN1KMT2AGABBR2GABBR1

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 12 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
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

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 CYP1A2 969/4885MEN1 3699/4885KMT2A 2729/4885
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof DAO, HAO2, AOC1 CYP1A2 1584/4885MEN1 2350/4885KMT2A 1612/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 CYP1A2 1444/4885MEN1 3168/4885KMT2A 2606/4885

“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.