SCHEMBL10248604

SCHEMBL10248604

CCC1CC(=CC(=O)OC)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PRKCA P17252 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ESR2 Q92731 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL10248707 0.81 TSHR (0.35) HCAR2KEAP1NFE2L2PRKCATSHR
SCHEMBL10248672 0.81 ALDH1A1 (0.35) HCAR2KEAP1NFE2L2TSHRBRD4
SCHEMBL23533359 0.81 PRKCA (0.40) PRKCATSHR
SCHEMBL22691368 0.79 TSHR (0.33) HCAR2KEAP1NFE2L2TSHR
SCHEMBL5084459 0.78 PRKCA (0.34) HCAR2KEAP1NFE2L2PRKCAKMT2A
SCHEMBL5084461 0.78 PRKCA (0.34) HCAR2KEAP1NFE2L2PRKCAKMT2A
SCHEMBL11225493 0.78 HCAR2 (0.39) HCAR2KEAP1NFE2L2PRKCATSHR
SCHEMBL14599741 0.76 HCAR2 (0.37) HCAR2KEAP1NFE2L2TSHRESR2
SCHEMBL10248622 0.75 TSHR (0.31) TSHR
SCHEMBL13993770 0.73 TSHR (0.37) HCAR2KEAP1NFE2L2MEN1KMT2A

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-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-10 US disclosed
US-9688714-B2 Substituted purine compounds Epizyme, Inc. (US) 2017-06-27 US disclosed
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-12-22 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 (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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HCAR2 3539/4885KEAP1 1979/4885NFE2L2 3489/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HCAR2 3539/4885KEAP1 1979/4885NFE2L2 3489/4885
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT HCAR2 3548/4885KEAP1 863/4885NFE2L2 2363/4885
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT HCAR2 3548/4885KEAP1 863/4885NFE2L2 2363/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HCAR2 3539/4885KEAP1 1979/4885NFE2L2 3489/4885

“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.