SCHEMBL9723930

SCHEMBL9723930

C=C(C(=O)OCC)C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CASP1 P29466 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2C19 P33261 1/20 0.34
TRPA1 O75762 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
SCHEMBL14934932 0.83 ALDH1A1 (0.43) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL22342678 0.82 ALDH1A1 (0.46) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL20283670 0.82 ALDH1A1 (0.42) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL166879 0.81 ALDH1A1 (0.46) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL79588 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL13269637 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28293945 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL19687702 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL14010565 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL13502864 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTSHRNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-12-14 US disclosed
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-12-14 US disclosed
US-20170073438-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-03-16 US disclosed
US-20170073438-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-03-16 US disclosed
US-9527795-B2 Methylene beta-ketoester monomers, methods for making methylene beta-ketoester monomers, polymerizable compositions and products formed therefrom SIRRUS, INC. (US) 2016-12-27 US disclosed
US-9527795-B2 Methylene beta-ketoester monomers, methods for making methylene beta-ketoester monomers, polymerizable compositions and products formed therefrom SIRRUS, INC. (US) 2016-12-27 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2014-09-25 US disclosed
US-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2014-09-25 US disclosed
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 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 (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-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM MACF1, MSMO1, ILK ALDH1A1 1292/4885MAPT 1280/4885TSHR 4869/4885
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 ALDH1A1 728/4885MAPT 3346/4885TSHR 4501/4885
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM BHMT2, BHMT, MACF1 ALDH1A1 562/4885MAPT 980/4885TSHR 4885/4885

“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.