SCHEMBL10248707

SCHEMBL10248707

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRKCA P17252 2/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL10248672 0.86 ALDH1A1 (0.35) TSHRBRD4KEAP1NFE2L2HCAR2
SCHEMBL10248604 0.81 HCAR2 (0.34) TSHRBRD4KEAP1NFE2L2HCAR2
SCHEMBL22691368 0.76 TSHR (0.33) TSHRKEAP1NFE2L2HCAR2
SCHEMBL11225493 0.75 HCAR2 (0.39) TSHRKEAP1NFE2L2HCAR2PRKCA
SCHEMBL23533359 0.75 PRKCA (0.40) TSHRPRKCA
SCHEMBL14599741 0.73 HCAR2 (0.37) TSHRKEAP1NFE2L2HCAR2
SCHEMBL5084461 0.71 PRKCA (0.34) TSHRKEAP1NFE2L2HCAR2PRKCA
SCHEMBL5084459 0.71 PRKCA (0.34) TSHRKEAP1NFE2L2HCAR2PRKCA
SCHEMBL13993770 0.70 TSHR (0.37) TSHRBRD4KEAP1NFE2L2HCAR2
SCHEMBL518574 0.69

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 TSHR 4489/4885BRD4 804/4885KEAP1 1979/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TSHR 4489/4885BRD4 804/4885KEAP1 1979/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TSHR 4489/4885BRD4 804/4885KEAP1 1979/4885

“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.