SCHEMBL4527231

SCHEMBL4527231

CC(=O)OC(C)(C)COC[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNH2 Q12809 2/20 0.36
TK1 P04183 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.34
ELANE P08246 1/20 0.33
DUT P33316 1/20 0.33
GRIN2D O15399 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
OPRM1 P35372 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CACNA1F O60840 1/20 0.32
ABCB1 P08183 1/20 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
SCHEMBL2180294 0.80 TK1 (0.39) KIF11CYP2C19HIF1AKCNH2TK1
SCHEMBL4535864 0.80 CYP2C19 (0.37) KIF11CYP2C19HIF1ATK1CYP2D6
SCHEMBL12409617 0.80 CYP2C19 (0.37) KIF11CYP2C19HIF1ATK1CYP2D6
SCHEMBL4535689 0.75 SMN1; SMN2 (0.41) TK1KMT2AABCB1
SCHEMBL27419230 0.73 FFAR1 (0.36)
SCHEMBL2182177 0.73 KMT2A (0.42) KIF11CYP2C19HIF1AKCNH2TK1
SCHEMBL4537870 0.72 GAA (0.35)
SCHEMBL2178034 0.72 KIF11 (0.44) KIF11CYP2C19TK1CYP2D6CYP1A2
SCHEMBL4525211 0.72 KIF11 (0.44) KIF11CYP2C19TK1CYP2D6CYP1A2
SCHEMBL9365537 0.70 KIF11 (0.43) KIF11CYP2C19HIF1AKCNH2TK1

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-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT KIF11 4743/4885CYP2C19 117/4885HIF1A 3238/4885

“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.