SCHEMBL17480802

SCHEMBL17480802

CC(=O)OCC(O)COCC(COCC(O)COC(C)=O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
PRKCA P17252 3/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 4/20 0.37
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 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
SCHEMBL17482276 0.91 PRKCA (0.49) TDP1PRKCAMEN1KMT2ALMNA
SCHEMBL11001848 0.88 TDP1 (0.50) TDP1PRKCAARALDH1A1MEN1
SCHEMBL6131221 0.88 TDP1 (0.48) TDP1ALDH1A1USP2CYP3A4MAPT
SCHEMBL5431566 0.87 PRKCA (0.45) TDP1PRKCAARUSP2MEN1
Acetic Acid SCHEMBL7757277 0.84 PRKCA (0.43) TDP1PRKCAARUSP2MEN1
SCHEMBL14012607 0.82 PRKCA (0.39) TDP1PRKCAALDH1A1MEN1KMT2A
SCHEMBL13875606 0.82 USP2 (0.44) PRKCAUSP2MEN1KMT2ASMN1; SMN2
Triacetin SCHEMBL3870 0.81 TDP1 (0.56) TDP1PRKCAARALDH1A1MEN1
Triacetin SCHEMBL821340 0.81 TDP1 (0.56) TDP1PRKCAARALDH1A1MEN1
SCHEMBL304203 0.81 TDP1 (0.54) TDP1ALDH1A1USP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957222-B2 Organic oligomers of acylglycerol AGRONUTRITION (FR) 2018-05-01 US disclosed
US-9790135-B2 Use of acylated carbonic esters of glycerol in agriculture AGRONUTRITION (FR) 2017-10-17 US disclosed
US-20160031794-A1 ORGANIC OLIGOMERS OF ACYLGLYCEROL AGRONUTRITION (FR) 2016-02-04 US disclosed
US-20160031794-A1 ORGANIC OLIGOMERS OF ACYLGLYCEROL AGRONUTRITION (FR) 2016-02-04 US disclosed
US-20160031764-A1 USE OF ACYLATED CARBONIC ESTERS OF GLYCEROL IN AGRICULTURE INSTITUT NATIONAL POLYTECHNIQUE DE TOULOUSE (FR) 2016-02-04 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 (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-20160031764-A1 USE OF ACYLATED CARBONIC ESTERS OF GLYCEROL IN AGRICULTURE GK, AGPAT5, AGPAT2 TDP1 3704/4885PRKCA 855/4885AR 1322/4885
US-20160031794-A1 ORGANIC OLIGOMERS OF ACYLGLYCEROL APOL1, APOB, MOGAT2 TDP1 2713/4885PRKCA 3472/4885AR 2246/4885

“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.