SCHEMBL1682365

SCHEMBL1682365

C#CCOCCOC(=O)C=C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.67
ALDH1A1 P00352 4/20 0.67
TP53 P04637 3/20 0.67
HIF1A Q16665 3/20 0.67
HSD17B10 Q99714 1/20 0.67
THRB P10828 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL12629267 0.98 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9354091 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL195103 0.81
SCHEMBL25514 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4602612 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8636795 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18134826 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12701599 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL56001 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10314657 0.81 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135749-A1 LOW SHRINKAGE MULTIFUNCTIONAL SSQ RESINS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-09 US claimed
WO-2009110848-A1 LOW SHRINKAGE MULTIFUNCTIONAL SSQ RESINS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-09-11 WO claimed
US-8278077-B2 Esterification of acrylic acid or ester with such as diethoxylated propargyl alcohol; curable acrylate resins; bright electroplating additive intermediates; mild conditions, stabilizer free, high purity BASF AKTIENGESELLSCHAFT (DE) 2012-10-02 US disclosed
US-8278077-B2 Esterification of acrylic acid or ester with such as diethoxylated propargyl alcohol; curable acrylate resins; bright electroplating additive intermediates; mild conditions, stabilizer free, high purity BASF AKTIENGESELLSCHAFT (DE) 2012-10-02 US disclosed
US-20110135749-A1 LOW SHRINKAGE MULTIFUNCTIONAL SSQ RESINS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-09 US disclosed
WO-2011040881-A1 UNIMOLECULAR LIGAND-INITIATOR DUAL FUNCTIONAL SYSTEMS (UMLIDFS) AND USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-04-07 WO disclosed
WO-2009110848-A1 LOW SHRINKAGE MULTIFUNCTIONAL SSQ RESINS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-09-11 WO disclosed
US-20080200631-A1 Enzymatic Production of (Meth)Acrylic Acid Esters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080200631-A1 Enzymatic Production of (Meth)Acrylic Acid Esters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-5214077-A ORGANOSILICON COMPOUNDS CONTAINING (METH)ACRYLOXY GROUPS, THEIR PREPARATION AND USE WACKER-CHEMIE GMBH (DE) 1993-05-25 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-20110135749-A1 LOW SHRINKAGE MULTIFUNCTIONAL SSQ RESINS SFPQ, PRDX1, SRSF1 TSHR 4655/4885ALDH1A1 2659/4885TP53 2857/4885

“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.