SCHEMBL813660

SCHEMBL813660

COCCOC(=O)CCCC(=O)OCCOC(=O)CCCC(=O)OCCOC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.58
TSHR P16473 5/20 0.52
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
DNM1 Q05193 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
PAM P19021 2/20 0.38
HTR2C P28335 1/20 0.37
MGLL Q99685 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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 1.00 DGKA (0.58) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL1033327 0.95 DGKA (0.64) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL130621 0.93 DGKA (0.52) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL28922182 0.93 DGKA (0.68) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL813481 0.91 DGKA (0.55) DGKATSHRALDH1A1MAPTDNM1
SCHEMBL28126898 0.91 TSHR (0.59) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL15131901 0.91 DGKA (0.50) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL12200847 0.91 DGKA (0.59) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL813361 0.90 ADRA2A (0.54) DGKATSHRADRA2AADRA1AALDH1A1
Ammonia Solution, Strong SCHEMBL27753059 0.89 TSHR (0.57) DGKATSHRADRA2AADRA1AALDH1A1

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 DGKA 3393/4885TSHR 4859/4885ADRA2A 4875/4885

“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.