SCHEMBL813658

SCHEMBL813658

COC(=O)CCCC(=O)OCCOC(=O)CCCC(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.75
DGKA P23743 1/20 0.58
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
DNM1 Q05193 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25492396 0.90 TSHR (0.72) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL5271388 0.89 TSHR (0.65) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL11647199 0.89 TSHR (0.65) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL28600261 0.87 TSHR (0.62) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL2137161 0.87 TSHR (0.62) TSHRDGKAALDH1A1MAPTDNM1
SCHEMBL28075596 0.87 TSHR (0.62) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL50039 0.87 TSHR (1.00) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL28238018 0.87 TSHR (1.00) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL429505 0.86 TSHR (0.61) TSHRDGKAMEN1KMT2ALMNA
SCHEMBL27638433 0.86 TSHR (0.61) TSHRDGKAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
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-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 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-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 US disclosed
US-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 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 (4 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-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION DCLRE1A, RNGTT, NSUN2 TSHR 3242/4885DGKA 1451/4885MEN1 4488/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 TSHR 4661/4885DGKA 1635/4885MEN1 2818/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 TSHR 4661/4885DGKA 1635/4885MEN1 2818/4885
US-20100158849-A1 ISOCYANATE TERMINATED MACROMER AND FORMULATION THEREOF FOR USE AS AN INTERNAL ADHESIVE OR SEALANT ICAM1, ILK, MACF1 TSHR 4859/4885DGKA 3393/4885MEN1 889/4885

“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.