SCHEMBL16713982

SCHEMBL16713982

CCCNCCC.COP(=O)(O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.45
MMP2 P08253 3/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
S1PR2 O95136 7/20 0.41
S1PR1 P21453 7/20 0.41
S1PR3 Q99500 7/20 0.41
S1PR4 O95977 6/20 0.41
S1PR5 Q9H228 1/20 0.41
PAOX Q6QHF9 1/20 0.39
SAT1 P21673 1/20 0.37
PLA2G2A P14555 1/20 0.36
ADH1B P00325 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
ERAP2 Q6P179 1/20 0.32
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
Phosphoric Acid SCHEMBL128360 0.82 ANPEP (0.54) ANPEPMMP2MMP1MMP3MMP9
Phosphoric Acid SCHEMBL128359 0.82 ANPEP (0.54) ANPEPMMP2MMP1MMP3MMP9
Diethylamine SCHEMBL16713992 0.80 TP53 (0.42) ANPEPMMP2MMP1MMP3MMP9
Phosphoric Acid SCHEMBL28426124 0.79 ANPEP (0.52) ANPEPMMP2MMP1MMP3MMP9
Diethyl Hydrogen Phosphate SCHEMBL16713989 0.79 ANPEP (0.44) ANPEPMMP2MMP1MMP3MMP9
Propane SCHEMBL4629637 0.79 CA2 (0.35) MMP2MMP1MMP3PLA2G2ALPAR1
Alcohol SCHEMBL7622017 0.76 PPARD (0.39) MMP2MMP1MMP3PLA2G2ALPAR1
SCHEMBL28223995 0.76 CA2 (0.43) MMP2MMP1MMP9
SCHEMBL47754 0.76
SCHEMBL5595395 0.75 S1PR2 (0.59) ANPEPMMP2MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472829-B2 Method for stabilizing LiPF6, electrolyte solution for nonaqueous secondary batteries having excellent thermal stability, and nonaqueous secondary battery having excellent thermal stability TOSOH F-TECH, INC. (JP) 2016-10-18 US disclosed
US-20150140445-A1 METHOD FOR STABILIZING LIPF6, ELECTROLYTE SOLUTION FOR NONAQUEOUS SECONDARY BATTERIES HAVING EXCELLENT THERMAL STABILITY, AND NONAQUEOUS SECONDARY BATTERY HAVING EXCELLENT THERMAL STABILITY TOSOH F-TECH, INC. (JP) 2015-05-21 US 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 (1 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-20150140445-A1 METHOD FOR STABILIZING LIPF6, ELECTROLYTE SOLUTION FOR NONAQUEOUS SECONDARY BATTERIES HAVING EXCELLENT THERMAL STABILITY, AND NONAQUEOUS SECONDARY BATTERY HAVING EXCELLENT THERMAL STABILITY ELOVL6, ABHD6, NAF1 ANPEP 4448/4885MMP2 4515/4885MMP1 4804/4885

“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.