SCHEMBL3759455

SCHEMBL3759455

C=C(C)C(=O)OCC1CC(=O)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 5/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL15274826 0.85 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL15274754 0.83 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15274752 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL24689657 0.80 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL15274760 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15274745 0.76 TSHR (0.36) ALDH1A1TSHRCYP3A4THRB
SCHEMBL14341639 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL12903287 0.76 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL15274758 0.74 ALDH1A1 (0.34) ALDH1A1TSHRCYP3A4
SCHEMBL15274749 0.74 GSTP1 (0.40) ALDH1A1TSHR

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 claimed
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 claimed
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 claimed
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
WO-2013138243-A1 BIFUNCTIONAL COMPOUNDS NOVOMER, INC. (US) 2013-09-19 WO 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

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 ALDH1A1 822/4885TSHR 4555/4885CYP3A4 2013/4885

“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.