SCHEMBL285037

SCHEMBL285037

C=COC(=O)OC(CCC)OC(=O)OC=C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31
CTSK P43235 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
SCHEMBL284922 0.87 SMPD1 (0.41) TSHRHPGD
SCHEMBL1582846 0.82 FAAH (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9300007 0.80 TSHR (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8961961 0.78 TSHR (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25306950 0.78 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL429578 0.77 CA1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13924332 0.76 TSHR (0.39) TSHRCYP3A4HPGDCTSK
SCHEMBL15720750 0.75 ALDH1A1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL544590 0.75 TSHR (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9446372 0.74 ALDH1A1 (0.40) TSHRHPGDCTSK

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-8999323-B2 Composition that can be cured by polymerisation for the production of biodegradable, biocompatible, cross-linkable polymers on the basis of polyvinyl alcohol TECHNISCHE UNIVERSITÄT WIEN (AT) 2015-04-07 US disclosed
EP-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP disclosed
EP-2428235-A2 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers Technische Universität Wien (AT) 2012-03-14 EP disclosed
US-20100303804-A1 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITAT WIEN (AT) 2010-12-02 US disclosed
EP-2219697-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL Technische Universität Wien (AT) 2010-08-25 EP disclosed
WO-2009065162-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITÄT WIEN (AT) 2009-05-28 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-20100303804-A1 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL SCO2, CBR1, CBR3 CHRM1 33/4885AKR1A1 604/4885CHRM3 250/4885

“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.