SCHEMBL14775348

SCHEMBL14775348

CCCCOP(=O)(CN(CCO)CCO)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
LPAR3 Q9UBY5 5/20 0.40
LPAR1 Q92633 3/20 0.40
LPAR2 Q9HBW0 3/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL19979597 0.96 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL14782070 0.89 MEN1 (0.41) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL20049675 0.89 LPAR3 (0.42) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL19979590 0.88 CYP3A4 (0.44) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL21725375 0.84 MEN1 (0.43) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL20045049 0.82 LPAR3 (0.54) LPAR3LPAR1LPAR2
Trolamine SCHEMBL28296634 0.81 CYP3A4 (0.65) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL530398 0.81 CYP2C9 (0.56) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL14778154 0.81 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL14790946 0.80 MEN1 (0.51) GAAMEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149226-B2 Preparation and use of aminoalkylphosphonic acid dialkyl ester compounds in a lubricant for antiwear, friction reduction, and/or micropitting prevention AFTON CHEMICAL CORPORATION (US) 2021-10-19 US claimed
US-11149226-B2 Preparation and use of aminoalkylphosphonic acid dialkyl ester compounds in a lubricant for antiwear, friction reduction, and/or micropitting prevention AFTON CHEMICAL CORPORATION (US) 2021-10-19 US disclosed
EP-2570471-B1 Aminoalkylphosphonic acid dialkyl ester compounds in a lubricant for antiwear and/or friction reduction AFTON CHEMICAL CORP (US) 2021-04-07 EP disclosed
US-20200181522-A1 Preparation and Use of Aminoalkylphosphonic Acid Dialkyl Ester Compounds in a Lubricant for Antiwear, Friction Reduction, and/or Micropitting Prevention AFTON CHEMICAL CORP (US) 2020-06-11 US disclosed
US-10563146-B2 Preparation and use of aminoalkylphosphonic acid dilakyl ester compounds in a lubricant for antiwear, friction reduction, and/or micropitting prevention AFTON CHEMICAL CORPORATION (US) 2020-02-18 US disclosed
US-20130072407-A1 PREPARATION AND USE OF AMINOALKYLPHOSPHONIC ACID DILAKYL ESTER COMPOUNDS IN A LUBRICANT FOR ANTIWEAR, FRICTION REDUCTION, AND/OR MICROPITTING PREVENTION AFTON CHEMICAL CORPORATION (US) 2013-03-21 US disclosed
EP-2570471-A1 Preparation and use of aminoalkylphosphonic acid dialkyl ester compounds in a lubricant for antiwear and/or friction reduction Afton Chemical Corporation (US) 2013-03-20 EP 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-20130072407-A1 PREPARATION AND USE OF AMINOALKYLPHOSPHONIC ACID DILAKYL ESTER COMPOUNDS IN A LUBRICANT FOR ANTIWEAR, FRICTION REDUCTION, AND/OR MICROPITTING PREVENTION TP53RK, MDK, DEK CYP3A4 4619/4885LPAR3 1148/4885LPAR1 1045/4885
US-11149226-B2 Preparation and use of aminoalkylphosphonic acid dialkyl ester compounds in a lubricant for antiwear, friction reduction, and/or micropitting prevention TP53RK, PHOSPHO1, PTAFR CYP3A4 4748/4885LPAR3 1317/4885LPAR1 1170/4885
US-20200181522-A1 Preparation and Use of Aminoalkylphosphonic Acid Dialkyl Ester Compounds in a Lubricant for Antiwear, Friction Reduction, and/or Micropitting Prevention TP53RK, PHOSPHO1, PTAFR CYP3A4 4748/4885LPAR3 1317/4885LPAR1 1170/4885

“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.