Sugi Predict

Sugi Predict / Compounds / SCHEMBL19459343

SCHEMBL19459343

SCHEMBL19459343

CC(C)(C)OC(=O)CC(=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HAO1 Q9UJM8 1/20 0.33
▸ AKT1 P31749 2/20 0.33
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL241533 0.82 DGAT1 (0.46) DGAT1CYP2D6MEN1GAAKMT2A
SCHEMBL52738 0.80 MEN1 (0.42) DGAT1CYP2D6MEN1GAAKMT2A
Acetic Acid SCHEMBL28025379 0.80 DGAT1 (0.41) DGAT1CYP2D6MEN1GAAKMT2A
Methyl Alcohol SCHEMBL27995686 0.79 DGAT1 (0.44) DGAT1CYP2D6MEN1GAAKMT2A
SCHEMBL11099149 0.78 MEN1 (0.33) DGAT1CYP2D6MEN1GAAKMT2A
SCHEMBL6206868 0.78 DGAT1 (0.39) DGAT1CYP2D6MEN1GAAKMT2A
SCHEMBL223525 0.78 MEN1 (0.41) DGAT1CYP2D6MEN1GAAKMT2A
SCHEMBL21406297 0.78 MEN1 (0.41) DGAT1CYP2D6MEN1GAAKMT2A
Ethane SCHEMBL1979252 0.78 MEN1 (0.41) DGAT1CYP2D6MEN1GAAKMT2A
Ammonia Solution, Strong SCHEMBL3971260 0.78 MEN1 (0.41) DGAT1CYP2D6MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10563216-B2 Compositions and methods of delivering molecules to plants Bloomsburg University of Pennsylvania (US) 2020-02-18 — — US disclosed
US-20190323025-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF MOLECULES TO PLANTS Bloomsburg University of Pennsylvania 2019-10-24 — — US disclosed
WO-2017184500-A1 COMPOSITIONS AND METHODS OF DELIVERING MOLECULES TO PLANTS Bloomsburg University of Pennsylvania (US) 2017-10-26 — — WO disclosed
US-20170298374-A1 COMPOSITIONS AND METHODS OF DELIVERING MOLECULES TO PLANTS Bloomsburg University of Pennsylvania 2017-10-19 — — 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-20190323025-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF MOLECULES TO PLANTS SLC40A1, SLC39A3, SLC7A5 DGAT1 481/4885CYP2D6 3431/4885MEN1 3945/4885
US-20170298374-A1 COMPOSITIONS AND METHODS OF DELIVERING MOLECULES TO PLANTS SLC19A1, OAT, SLC40A1 DGAT1 437/4885CYP2D6 1022/4885MEN1 3867/4885

“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.