SCHEMBL9913621

SCHEMBL9913621

CCCCOC(=O)CCC1CC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
DGKA P23743 1/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
PRKCA P17252 1/20 0.39

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
SCHEMBL9106913 0.83 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1LMNAMEN1
SCHEMBL28820927 0.83 DGKA (0.50) ALDH1A1DGKAMAPTNAAAHTR2C
SCHEMBL29549657 0.83 DGKA (0.50) ALDH1A1MAPK1DGKANAAAHTR2C
SCHEMBL10614340 0.81 DGKA (0.44) ALDH1A1MAPK1DGKAMAPTRECQL
SCHEMBL27469500 0.80 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1
SCHEMBL16814874 0.80 DGKA (0.47) ALDH1A1DGKAMAPTNAAAHTR2C
SCHEMBL8413450 0.79 MEN1 (0.52) ALDH1A1DGKAMAPTNAAALMNA
SCHEMBL29549695 0.78 NAAA (0.53) DGKANAAAHTR2CEPHX2PRKCA
SCHEMBL28594649 0.77 DGKA (0.44) ALDH1A1DGKAMAPTNAAAHTR2C
SCHEMBL11829329 0.77 NAAA (0.56) DGKANAAAHTR2CEPHX2PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738679-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-08-22 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-01-28 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (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-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ALDH1A1 652/4885MAPK1 1341/4885DGKA 3347/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885MAPK1 918/4885DGKA 1889/4885

“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.