SCHEMBL3086153

SCHEMBL3086153

CCOC(=O)C(C(=O)OCC)C(=O)OCC.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SOAT1 P35610 1/20 0.48
TRPA1 O75762 1/20 0.43
PIN1 Q13526 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.38
AURKA O14965 1/20 0.38
NTRK1 P04629 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CAD P27708 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL425250 0.97 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL29262224 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL123766 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28163656 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL662792 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL26302 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28190143 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1363735 0.80 SOAT1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28436056 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9091558 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380407-B A kind of Ultra-low molecular weight dendroid alkyl hexamine shale control agent and its synthetic method 西南石油大学 2018-02-06 CN claimed
CN-106380407-A Ultralow molecular weight dendritic alkyl hexamine shale inhibitor and synthetic method thereof 西南石油大学 2017-02-08 CN claimed
CN-106380407-B A kind of Ultra-low molecular weight dendroid alkyl hexamine shale control agent and its synthetic method 西南石油大学 2018-02-06 CN disclosed
CN-106380407-A Ultralow molecular weight dendritic alkyl hexamine shale inhibitor and synthetic method thereof 西南石油大学 2017-02-08 CN disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885LMNA 3803/4885HSD17B10 561/4885

“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.