SCHEMBL813534

SCHEMBL813534

CNCNC(=O)NCC(C)=O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX1 P07099 2/20 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
SCHEMBL20879978 0.81 EPHX1 (0.37) EPHX1
SCHEMBL17285643 0.79
SCHEMBL13144610 0.77 KDM4E (0.40) ALDH1A1EPHX1
SCHEMBL23955941 0.74 EPHX1 (0.32) ALDH1A1EPHX1
SCHEMBL2616818 0.73
SCHEMBL17913964 0.72
SCHEMBL10131957 0.72 CA1 (0.38) ALDH1A1TDP1
SCHEMBL64863 0.72
SCHEMBL20880003 0.71 PAOX (0.39) ALDH1A1EPHX1
SCHEMBL23140063 0.70 SMN1; SMN2 (0.44) ALDH1A1TDP1

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 ALDH1A1 517/4885TDP1 1867/4885EPHX1 1187/4885

“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.