SCHEMBL3795124

SCHEMBL3795124

CC(=O)OCC(CO)(C(C)=O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GALR3 O60755 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33

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
SCHEMBL13765456 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL13130097 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL13064099 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL3797937 0.80 PRKCA (0.40) ALDH1A1GAAKDM4EPKM
SCHEMBL13174495 0.80 KDM4E (0.36) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL13173225 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL12963629 0.79 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL383194 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL6232268 0.76 ALDH1A1 (0.33) ALDH1A1LMNAGAATSHRKDM4E
SCHEMBL13020531 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
WO-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
US-20100240604-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 US disclosed
US-20100240604-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 US disclosed
WO-2010108135-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO disclosed
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 US disclosed
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 US disclosed
WO-2009086201-A1 2-5A ANALOGS AND THEIR USE AS ANTI-CANCER, ANTI-VIRAL AND ANTI- PARAS ITI C AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed
WO-2009086192-A1 BIODEGRADABLE PHOSPHATE PROTECTED NUCLEOTIDE DERIVATIVES AND THEIR USE AS CANCER, ANTI VIRAL AND ANTI PARASITIC AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed
US-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC. (US) 2009-07-09 US disclosed
US-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC. (US) 2009-07-09 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 (5 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-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS NTPCR, NT5C2, PNP ALDH1A1 941/4885LMNA 777/4885HSD17B10 4243/4885
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 ALDH1A1 1405/4885LMNA 822/4885HSD17B10 2639/4885
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 ALDH1A1 1161/4885LMNA 686/4885HSD17B10 2687/4885
US-20100240604-A1 PROTECTED NUCLEOTIDE ANALOGS PNP, NTPCR, TYMP ALDH1A1 3343/4885LMNA 1360/4885HSD17B10 4642/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR ALDH1A1 2902/4885LMNA 1477/4885HSD17B10 4739/4885

“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.