SCHEMBL10248672

SCHEMBL10248672

COC(=O)C=C1CC(CC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32

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 0.86 TSHR (0.35) TSHRBRD4HCAR2KEAP1NFE2L2
SCHEMBL10248604 0.81 HCAR2 (0.34) TSHRBRD4HCAR2KEAP1NFE2L2
SCHEMBL10248622 0.79 TSHR (0.31) TSHR
SCHEMBL22691368 0.76 TSHR (0.33) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL10248636 0.75 ALDH1A1 (0.40) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL11225493 0.75 HCAR2 (0.39) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL23533359 0.75 PRKCA (0.40) ALDH1A1POLBTSHR
SCHEMBL14599741 0.73 HCAR2 (0.37) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL1709394 0.72 ALDH1A1 (0.38) ALDH1A1POLBMAPTTDP1ITGB1
SCHEMBL5084459 0.71 PRKCA (0.34) ALDH1A1TSHRHCAR2KEAP1NFE2L2

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 ALDH1A1 592/4885POLB 1016/4885MAPT 1522/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885POLB 1016/4885MAPT 1522/4885
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT ALDH1A1 922/4885POLB 1172/4885MAPT 2709/4885
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT ALDH1A1 922/4885POLB 1172/4885MAPT 2709/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885POLB 1016/4885MAPT 1522/4885

“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.