SCHEMBL9106935

SCHEMBL9106935

O=C(C=C1CC(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.49
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL22070710 0.85 HPGD (0.46) HCAR2ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL31715721 0.84 HCAR2 (0.44) HCAR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19284778 0.82 HCAR2 (0.59) HCAR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9108604 0.82 LMNA (0.44) HCAR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL440768 0.78 HCAR2 (0.54) HCAR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13529290 0.76 HCAR2 (0.51) HCAR2SMN1; SMN2ALDH1A1LMNAAKR1B10
SCHEMBL17893391 0.75 ESR2 (0.50) ALDH1A1L3MBTL1KMT2A
SCHEMBL17892441 0.75 ESR2 (0.50) ALDH1A1L3MBTL1KMT2A
SCHEMBL14127784 0.74 ESR2 (0.46) HCAR2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL25266914 0.73 HCAR2 (0.46) HCAR2SMN1; SMN2NPC1RAB9AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 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-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-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US 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
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
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (5 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HCAR2 3539/4885SMN1; SMN2 434/4885NPC1 1157/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HCAR2 3539/4885SMN1; SMN2 434/4885NPC1 1157/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HCAR2 3539/4885SMN1; SMN2 434/4885NPC1 1157/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HCAR2 3539/4885SMN1; SMN2 434/4885NPC1 1157/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HCAR2 3539/4885SMN1; SMN2 434/4885NPC1 1157/4885

“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.