SCHEMBL2869946

SCHEMBL2869946

O=C(O)CCCC(=O)OCCOC(=O)CCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
DGKA P23743 1/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CASP6 P55212 1/20 0.44
CAMK2A Q9UQM7 1/20 0.43
PAM P19021 2/20 0.43
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
GABRA1 P14867 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
SCHEMBL536437 0.95 DGKA (0.60) TSHRSLC22A6DGKANPC1LMNA
SCHEMBL1389328 0.93 TSHR (0.52) TSHRSLC22A6DGKANPC1LMNA
SCHEMBL4669422 0.92 TSHR (0.56) TSHRSLC22A6DGKANPC1LMNA
SCHEMBL586052 0.92 DGKA (0.64) TSHRSLC22A6DGKALMNANFKB1
SCHEMBL27343249 0.92 DGKA (0.64) TSHRSLC22A6DGKALMNANFKB1
SCHEMBL7172777 0.92 TSHR (0.56) TSHRSLC22A6DGKANPC1LMNA
SCHEMBL3503544 0.92 DGKA (0.64) TSHRSLC22A6DGKALMNANFKB1
SCHEMBL4401743 0.92 DGKA (0.64) TSHRSLC22A6DGKALMNANFKB1
SCHEMBL3503100 0.92 DGKA (0.64) TSHRSLC22A6DGKALMNANFKB1
SCHEMBL27861896 0.92 TSHR (0.56) TSHRSLC22A6DGKANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150119-B1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX INC (US) 2018-04-11 EP claimed
US-20100129417-A1 Dihydroxybenzoate Polymers and Uses Thereof MEDTRONIC, INC. 2010-05-27 US claimed
EP-2150119-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA INC. (US) 2010-02-10 EP claimed
WO-2008137807-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA, INC. (US) 2008-11-13 WO claimed
EP-2150119-B1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX INC (US) 2018-04-11 EP disclosed
US-9491966-B2 Dihydroxybenzoate polymers and uses thereof TYRX, INC. (US) 2016-11-15 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-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-20100129417-A1 Dihydroxybenzoate Polymers and Uses Thereof MEDTRONIC, INC. 2010-05-27 US disclosed
EP-2150119-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA INC. (US) 2010-02-10 EP 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-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
WO-2008137807-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA, INC. (US) 2008-11-13 WO 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 (2 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 3242/4885SLC22A6 4288/4885DGKA 1451/4885
US-20100129417-A1 Dihydroxybenzoate Polymers and Uses Thereof DDT, QDPR, HPD TSHR 4753/4885SLC22A6 1704/4885DGKA 1333/4885

“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.