SCHEMBL1697166

SCHEMBL1697166

COc1ccc(C(OCC2CCC(n3cnc4c(=O)[nH]c(N)nc43)O2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
XDH P47989 2/20 0.48
TYMP P19971 3/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALB P02768 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HINT1 P49773 2/20 0.41
NT5E P21589 1/20 0.39
PNP P00491 1/20 0.39
GSK3A P49840 2/20 0.39
RPS6KA3 P51812 2/20 0.39
MAPK14 Q16539 2/20 0.39
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
HPRT1 P00492 1/20 0.38

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
SCHEMBL15489089 0.97 TYMP (0.53) HPGDXDHTYMPALDH1A1LMNA
SCHEMBL15488819 0.92 TYMP (0.51) HPGDXDHTYMPALDH1A1LMNA
SCHEMBL15482429 0.84 TYMP (0.42) HPGDXDHTYMPALDH1A1LMNA
SCHEMBL15482427 0.84 TYMP (0.42) HPGDXDHTYMPALDH1A1LMNA
SCHEMBL12515629 0.84 TYMP (0.68) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL25057493 0.84 ALDH1A1 (0.52) HPGDXDHALDH1A1LMNAALB
SCHEMBL18520392 0.84 ALDH1A1 (0.52) HPGDXDHALDH1A1LMNAALB
SCHEMBL22523989 0.84 ALDH1A1 (0.52) HPGDXDHALDH1A1LMNAALB
SCHEMBL26794936 0.84 ALDH1A1 (0.52) HPGDXDHALDH1A1LMNAALB
SCHEMBL19505895 0.83 TYMP (0.49) HPGDTYMPALDH1A1LMNAALB

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-20170305954-A1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2017-10-26 US disclosed
US-9732112-B2 Synthesis of 2′,3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2017-08-15 US disclosed
US-20160108079-A1 Synthesis Of 2',3'-Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization Life Technologies Corporation 2016-04-21 US disclosed
US-9228227-B2 Synthesis of 2′, 3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2016-01-05 US disclosed
EP-2576577-B1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION LIFE TECHNOLOGIES CORP (US) 2015-03-18 EP disclosed
US-20150045547-A1 Synthesis Of 2' , 3' -Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization Life Technologies Corporation (US) 2015-02-12 US disclosed
US-8658776-B2 Synthesis of 2′,3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2014-02-25 US disclosed
EP-2576577-A2 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2013-04-10 EP disclosed
WO-2011150277-A2 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2011-12-01 WO disclosed
US-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization Life Technologies Corporation (US) 2011-12-01 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-20170305954-A1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION DCTD, MTAP, RNGTT HPGD 840/4885XDH 3045/4885TYMP 10/4885
US-20160108079-A1 Synthesis Of 2',3'-Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT HPGD 840/4885XDH 3045/4885TYMP 10/4885
US-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT HPGD 840/4885XDH 3045/4885TYMP 10/4885
US-20150045547-A1 Synthesis Of 2' , 3' -Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT HPGD 840/4885XDH 3045/4885TYMP 10/4885

“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.