SCHEMBL9612293

SCHEMBL9612293

COC(=O)/C=C1\CCCN1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OR51E2 Q9H255 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4954055 1.00 TSHR (0.44) TSHRHCAR2KEAP1NFE2L2OR51E2
SCHEMBL4954046 1.00 TSHR (0.44) TSHRHCAR2KEAP1NFE2L2OR51E2
SCHEMBL18820281 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL8190669 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL8190673 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL9535027 0.93 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2
SCHEMBL9535032 0.93 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2
SCHEMBL11722397 0.80 MAPK1 (0.44) TSHRHCAR2KDM4E
SCHEMBL11725317 0.80 HCAR2 (0.36) TSHRHCAR2
SCHEMBL15598874 0.80 MAPK1 (0.44) TSHRHCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 WO disclosed
WO-2012069680-A1 METHOD FOR SYNTHESISING INTERMEDIATES OF CRAMBESCIDINS AND CIMIPRONIDINE, AND DERIVATIVES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2012-05-31 WO disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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 (1 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A TSHR 4058/4885HCAR2 400/4885KEAP1 385/4885

“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.