SCHEMBL5078362

SCHEMBL5078362

C=C(C(=O)OCC)C(O)CCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16152888 0.89 CASP1 (0.42) CASP1ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL5084328 0.86 TSHR (0.39) CASP1ALDH1A1TSHRLMNAGAA
SCHEMBL16152775 0.85 GPR84 (0.52) CASP1TSHR
SCHEMBL16152902 0.85 GPR84 (0.52) CASP1TSHR
SCHEMBL2527545 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCYP2D6CYP2C19NPSR1
SCHEMBL5385552 0.83 CASP1 (0.46) CASP1ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL6677187 0.83 CASP1 (0.41) CASP1ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL5252175 0.83 TSHR (0.49) ALDH1A1TSHRNPSR1
SCHEMBL10954723 0.80 TSHR (0.59) TSHRNPSR1
SCHEMBL5084326 0.78 LMNA (0.36) TSHRNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527795-B2 Methylene beta-ketoester monomers, methods for making methylene beta-ketoester monomers, polymerizable compositions and products formed therefrom SIRRUS, INC. (US) 2016-12-27 US disclosed
US-9527795-B2 Methylene beta-ketoester monomers, methods for making methylene beta-ketoester monomers, polymerizable compositions and products formed therefrom SIRRUS, INC. (US) 2016-12-27 US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-1589009-B1 VITAMIN D3 LACTONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2014-10-08 EP disclosed
US-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2014-09-25 US disclosed
US-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2014-09-25 US disclosed
EP-1752475-B1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON CATALYTIC CHEM IND (JP) 2008-11-05 EP disclosed
EP-1832571-A1 Process for producing hydroxyl group-containing vinyl compound FUJIFILM Corporation (JP) 2007-09-12 EP disclosed
US-20070037962-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-15 US disclosed
EP-1752475-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-14 EP 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-20140288230-A1 METHYLENE BETA-KETOESTER MONOMERS, METHODS FOR MAKING METHYLENE BETA-KETOESTER MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFROM MACF1, MSMO1, ILK CASP1 3843/4885ALDH1A1 1292/4885TSHR 4869/4885

“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.