SCHEMBL813481

SCHEMBL813481

CCOC(=O)CCCC(=O)OCCOC(=O)CCCC(=O)OCCOC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL813905 0.91 DGKA (0.58) DGKACYP1A2TSHRALDH1A1TDP1
SCHEMBL813660 0.91 DGKA (0.58) DGKACYP1A2TSHRALDH1A1TDP1
SCHEMBL2607005 0.87 CYP1A2 (0.59) DGKACYP1A2TSHRGAAMGAM
SCHEMBL1033327 0.87 DGKA (0.64) DGKACYP1A2TSHRALDH1A1TDP1
SCHEMBL8745301 0.86 CYP1A2 (0.53) DGKACYP1A2TSHRGAAMGAM
SCHEMBL2607206 0.85 CYP1A2 (0.57) DGKACYP1A2TSHRGAAMGAM
SCHEMBL130621 0.85 DGKA (0.52) DGKACYP1A2TSHRALDH1A1CYP3A4
SCHEMBL2250899 0.85 DGKA (0.69) DGKATSHRALDH1A1CYP3A4TDP1
SCHEMBL28922182 0.85 DGKA (0.68) DGKATSHRALDH1A1DNM1MAPT
SCHEMBL27649244 0.85 CYP1A2 (0.61) DGKACYP1A2TSHRGAAMGAM

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 4 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-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

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 DGKA 3393/4885CYP1A2 1995/4885TSHR 4859/4885

“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.