SCHEMBL9719459

SCHEMBL9719459

C=COC(=O)CCOC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
TSHR P16473 3/20 0.38
DGKA P23743 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DNM1 Q05193 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10260603 0.82 DNM1 (0.36) NAAATSHRDNM1
SCHEMBL27872800 0.82 ALDH1A1 (0.40) TSHRGAAHPGDALDH1A1ADRA2A
SCHEMBL31443215 0.81 NAAA (0.60) NAAATSHRDGKAHPGDALDH1A1
SCHEMBL15133 0.80
SCHEMBL3103896 0.79 ALDH1A1 (0.52) NAAATSHRHPGDALDH1A1
Ethyl Propionate SCHEMBL31443212 0.79 GAA (0.46) NAAATSHRGAAHPGDALDH1A1
Ethylene SCHEMBL624465 0.78
SCHEMBL11755958 0.78
Hydrogen Sulfide SCHEMBL27797661 0.78
Hydrochloric Acid SCHEMBL4178093 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212050-B2 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2012-07-03 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
EP-1911350-A1 AMIDINE COMPOUND AND HERBICIDE NIPPON SODA CO., LTD. (JP) 2008-04-16 EP disclosed
US-5155253-A Reacting vinyl derivative of first Bronsted acid with labile Bronsted acid in presence of ruthenium catalyst, maintaining concentration below certain level and removing product as formed UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-10-13 US disclosed
US-4981973-A BRONSTED ACID, RUTHENIUM CATALYST UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-01 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-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM NAAA 26/4885TSHR 1305/4885DGKA 3275/4885

“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.