SCHEMBL9105970

SCHEMBL9105970

O=C1CC(CCC(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CDC25B P30305 1/20 0.43
KLK7 P49862 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL2232191 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL9265342 0.83 KLK7 (0.60) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL7495579 0.83 KLK7 (0.57) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL4065004 0.82 KLK7 (0.59) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL29307410 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL7060349 0.79 ITGB3 (0.49) ALDH1A1MAPK1L3MBTL1GLAKLK7
SCHEMBL27495569 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL27495568 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL1177836 0.78 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL22502940 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CYP2C19NOTUM

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 62 patents — showing the first 20. 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 claimed
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-01-28 US claimed
EP-2968387-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP claimed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 WO claimed
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-11572383-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-02-07 US disclosed
US-11572383-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-02-07 US disclosed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 WO disclosed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
CN-103391939-A Substituted purine and 7 - deazapurine compounds as modulators of epigenetic enzymes EPIZYME INC 2013-11-13 CN disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
EP-2646444-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2013-10-09 EP 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 (6 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 1341/4885L3MBTL1 674/4885
US-11572383-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 ALDH1A1 652/4885MAPK1 1341/4885L3MBTL1 674/4885
US-11753433-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 ALDH1A1 652/4885MAPK1 1341/4885L3MBTL1 674/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885MAPK1 918/4885L3MBTL1 699/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885MAPK1 918/4885L3MBTL1 699/4885
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ALDH1A1 652/4885MAPK1 1341/4885L3MBTL1 674/4885

“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.