SCHEMBL489075

SCHEMBL489075

CC(O)OCC(O)COC(C)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7624990 0.85
SCHEMBL14004726 0.85
SCHEMBL29321465 0.81 LMNA (0.47) SMN1; SMN2ALDH1A1LMNA
SCHEMBL14668947 0.81 THRB (0.43) TDP1
SCHEMBL7184472 0.81 HSD17B10 (0.41) MAPK1HSD17B10TDP1TSHRALDH1A1
SCHEMBL1838790 0.80 SMN1; SMN2 (0.47) NR2E1SMN1; SMN2MAPK1HSD17B10TDP1
SCHEMBL1263276 0.80
SCHEMBL28456948 0.80
SCHEMBL27338396 0.78
SCHEMBL6437383 0.76 USP2 (0.47) HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243050-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 Idera Pharamaceuticals, Inc. (US) 2016-01-26 US claimed
EP-2021008-B1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS INC (US) 2015-12-02 EP claimed
US-20140308300-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 NOVAQUEST CO-INVESTMENT FUND XV, L.P. 2014-10-16 US claimed
US-8853375-B2 Toll like receptor modulators IDERA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-8759310-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 IDERA PHARMACEUTICALS, INC. (US) 2014-06-24 US claimed
US-20130202584-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS, INC. 2013-08-08 US claimed
EP-2179061-B1 TOLL LIKE RECEPTOR MODULATORS IDERA PHARMACEUTICALS INC (US) 2012-10-03 EP claimed
US-8106173-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 IDERA PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-20090053148-A1 TOLL LIKE RECEPTOR MODULATORS IDERA PHARMACEUTICALS, INC. 2009-02-26 US claimed
US-20080171712-A1 At least two oligonucleotides having modified purine bases, such as deazaguanosines or deaza-adenosines, linked by an alkyl or phenolic diol or triol; vaccines, DNA vaccines; anticarcinogenic, antiallergenic, antiinflammatory agents; bronchodilators IDERA PHARMACEUTICALS, INC. 2008-07-17 US claimed
EP-2021008-B1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS INC (US) 2015-12-02 EP disclosed
US-5459172-A Reacting polyol, mixture of glycerin derivatives and water with polyisocyanate in presence of catalyst SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-17 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-20080171712-A1 At least two oligonucleotides having modified purine bases, such as deazaguanosines or deaza-adenosines, linked by an alkyl or phenolic diol or triol; vaccines, DNA vaccines; anticarcinogenic, antiallergenic, antiinflammatory agents; bronchodilators TLR8, TLR7, TLR9 NR2E1 1493/4885SMN1; SMN2 2543/4885MAPK1 2598/4885
US-20130202584-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 TLR8, TLR7, TLR9 NR2E1 981/4885SMN1; SMN2 400/4885MAPK1 3325/4885
US-20140308300-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 TLR8, TLR7, TLR9 NR2E1 981/4885SMN1; SMN2 400/4885MAPK1 3325/4885
US-20090053148-A1 TOLL LIKE RECEPTOR MODULATORS TLR9, TLR3, TLR5 NR2E1 1218/4885SMN1; SMN2 2079/4885MAPK1 798/4885

“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.