SCHEMBL1786389

SCHEMBL1786389

CC(C)(C)OC(=O)COC1CCCC(O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ BTK Q06187 1/20 0.34
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PREP P48147 1/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ EPHX1 P07099 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
SCHEMBL1786391 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3BTKCYP11B1
SCHEMBL1786390 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3BTKCYP11B1
SCHEMBL1785175 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL12607077 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL1786907 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL20722022 0.87 BTK (0.36) CHRM2CHRM1CHRM3BTKCYP11B1
SCHEMBL20722075 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL20722074 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL22616385 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL27436810 0.83 EPHX1 (0.37) CHRM2CHRM1CHRM3BTKCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT CHRM2 4365/4885CHRM1 4277/4885CHRM3 4333/4885

“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.

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