SCHEMBL723709

SCHEMBL723709

C=CCOC(=O)C(CN=C=O)N=C=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL725896 0.84 TDP1 (0.33) CYP3A4TDP1
SCHEMBL30300 0.80 TDP1 (0.31) TDP1
SCHEMBL626963 0.80 TDP1 (0.31) TDP1
SCHEMBL13144579 0.77 ALDH1A1 (0.33) CYP3A4TDP1TSHR
SCHEMBL10451042 0.76 TSHR (0.44) CYP3A4TDP1TSHRMAPT
SCHEMBL725123 0.75 SMN1; SMN2 (0.31)
SCHEMBL11586545 0.74 TSHR (0.49) CYP3A4TDP1TSHRMAPT
SCHEMBL11586707 0.74 TSHR (0.49) CYP3A4TDP1TSHRMAPT
SCHEMBL720609 0.69 TSHR (0.42) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL5162243 0.69 TSHR (0.44) CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090804-B2 Methods for generating mixtures of diisocyanates by phosgenation of diamino alkyl esters INVENTURE RENEWABLES, INC. (US) 2015-07-28 US claimed
US-20130209729-A1 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS INVENTURE RENEWABLES, INC. (US) 2013-08-15 US claimed
EP-2609074-A2 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS Inventure Renewables, Inc. (US) 2013-07-03 EP claimed
WO-2012027162-A2 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS INVENTURE CHEMICAL, INC. (US) 2012-03-01 WO claimed
US-9090804-B2 Methods for generating mixtures of diisocyanates by phosgenation of diamino alkyl esters INVENTURE RENEWABLES, INC. (US) 2015-07-28 US disclosed
US-20130209729-A1 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS INVENTURE RENEWABLES, INC. (US) 2013-08-15 US disclosed
EP-2609074-A2 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS Inventure Renewables, Inc. (US) 2013-07-03 EP disclosed
WO-2012027162-A2 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS INVENTURE CHEMICAL, INC. (US) 2012-03-01 WO 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-20130209729-A1 GENERATION OF MIXED DIISOCYANATES BY PHOSGENATION OF SOY BASED METHYL AMINO ESTERS PFAS, PRMT9, DDAH1 CYP3A4 2905/4885TDP1 3074/4885TSHR 4846/4885

“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.