SCHEMBL1336071

SCHEMBL1336071

C=C1CC1(C(=O)OCC)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 3/20 0.37
GAA P10253 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3133383 0.77 ATM (0.46) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5526295 0.75 BRD4 (0.45) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10422710 0.75 NPSR1 (0.35) ATMPOLBALDH1A1KDM4EMEN1
SCHEMBL14838847 0.72 ATM (0.40) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4759633 0.71 POLB (0.43) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL18921179 0.71 OPRM1 (0.46) ATMPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL27265842 0.70 ATM (0.41) ATMPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL3147434 0.70 POLB (0.46) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL136687 0.69 ATM (0.44) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4857506 0.68 ALDH1A1 (0.42) ATMPOLBALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232275-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY (US) 2012-07-31 US disclosed
US-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY 2011-11-10 US disclosed
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP disclosed
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents WAYNE STATE UNIVERSITY (US) 2009-05-07 US disclosed
US-7393855-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-07-01 US disclosed
EP-1490368-A4 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2006-07-19 EP disclosed
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents WAYNE STATE UNIVERSITY (US) 2005-05-26 US disclosed
EP-1490368-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS Wayne State University (US) 2004-12-29 EP disclosed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 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 (3 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-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS TPMT, HPRT1, MTAP ATM 4606/4885POLB 363/4885SMN1; SMN2 1963/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP ATM 4632/4885POLB 388/4885SMN1; SMN2 1945/4885
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents TPMT, HPRT1, MTAP ATM 4606/4885POLB 363/4885SMN1; SMN2 1963/4885

“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.