SCHEMBL813422

SCHEMBL813422

COCCOC(=O)CC(CC(=O)OCCOC)C(=O)OCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MET P08581 2/20 0.40
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DGKA P23743 1/20 0.33
ALOX5 P09917 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL14607144 0.84 CA12 (0.35) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL11129242 0.84 MET (0.37) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL2256279 0.80 MMP1 (0.41) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL26270357 0.79 TSHR (0.36) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL9936197 0.78 TSHR (0.38) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL10477474 0.77 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4TDP1DGKA
SCHEMBL22115803 0.77 TSHR (0.37) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL22115766 0.77 TSHR (0.39) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL15383208 0.77 TSHR (0.37) TSHRMETALDH1A1CYP3A4ALOX15
SCHEMBL14607143 0.76 RECQL (0.45) TSHRMETALDH1A1CYP3A4ALOX15

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-8962784-B2 Isocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON, INC. (US) 2015-02-24 US disclosed
US-8470954-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON, INC. (US) 2013-06-25 US disclosed
US-8324292-B2 Medically acceptable formulation of a diisocyanate terminated macromer for use as an internal adhesive or sealant ETHICON, INC. (US) 2012-12-04 US disclosed
US-8071663-B2 Medically acceptable formulation of a diisocyanate terminated macromer for use as an internal adhesive or sealant ETHICON, INC. (US) 2011-12-06 US disclosed
US-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed
US-20100158849-A1 ISOCYANATE TERMINATED MACROMER AND FORMULATION THEREOF FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ETHICON, INC. 2010-06-24 US disclosed
US-7728097-B2 Method of making a diisocyanate terminated macromer ETHICON, INC. (US) 2010-06-01 US disclosed
US-20090222038-A1 MEDICALLY ACCEPTABLE FORMULATION OF A DIISOCYANATE TERMINATED MACROMER FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ETHICON, INC. 2009-09-03 US disclosed
US-20090221731-A1 MEDICALLY ACCEPTABLE FORMULATION OF A DIISOCYANATE TERMINATED MACROMER FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ETHICON, INC. 2009-09-03 US disclosed
US-20070276121-A1 DIISOCYANATE TERMINATED MACROMER AND FORMULATION THEREOF FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ETHICON, INC. 2007-11-29 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-20100158849-A1 ISOCYANATE TERMINATED MACROMER AND FORMULATION THEREOF FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ICAM1, ILK, MACF1 TSHR 4859/4885MET 2185/4885ALDH1A1 517/4885

“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.