SCHEMBL10248877

SCHEMBL10248877

CC(=O)CCC1CC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BRD4 O60885 1/20 0.31
TLR4 O00206 1/20 0.30

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
SCHEMBL19215696 0.84 TLR4 (0.36) ALDH1A1NPC1RAB9APTPN1MAPT
SCHEMBL11527220 0.81 THRB (0.39) ALDH1A1NPC1RAB9ALMNAPTPN1
SCHEMBL9106968 0.79 FOLH1 (0.40) LMNAMEN1KMT2A
SCHEMBL1830401 0.78 CYP1A2 (0.42) ALDH1A1PTPN1MEN1KMT2ATLR4
SCHEMBL16093787 0.77 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2A
SCHEMBL10248671 0.76
SCHEMBL10616701 0.75
SCHEMBL22328939 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11854232 0.74 MAPT (0.32) MAPTMEN1KMT2ABRD4
SCHEMBL3628059 0.74 CHRM5 (0.42) ALDH1A1NPC1RAB9ALMNAPTPN1

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-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-17 US disclosed
US-9738679-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-08-22 US disclosed
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-01-28 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US 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 652/4885NPC1 2258/4885RAB9A 2079/4885
US-11753433-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 ALDH1A1 652/4885NPC1 2258/4885RAB9A 2079/4885
US-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ALDH1A1 652/4885NPC1 2258/4885RAB9A 2079/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885NPC1 1157/4885RAB9A 2031/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885NPC1 1157/4885RAB9A 2031/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885NPC1 1157/4885RAB9A 2031/4885

“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.