SCHEMBL10248622

SCHEMBL10248622

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 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 0.82 TSHR (0.35) TSHR
SCHEMBL10248672 0.79 ALDH1A1 (0.35) TSHR
SCHEMBL10252295 0.77 BRD4 (0.33)
SCHEMBL10248604 0.75 HCAR2 (0.34) TSHR
SCHEMBL117079 0.73 LIPA (0.31)
SCHEMBL22691368 0.70 TSHR (0.33) TSHR
SCHEMBL7500572 0.70 EPHX2 (0.37) TSHR
SCHEMBL18438801 0.70 ALOX5 (0.34) TSHR
SCHEMBL10248621 0.69 BRD4 (0.39) TSHR
SCHEMBL11225493 0.69 HCAR2 (0.39) TSHR

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 TSHR 4489/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TSHR 4489/4885
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT TSHR 4672/4885
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT TSHR 4672/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TSHR 4489/4885

“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.