SCHEMBL2182177

SCHEMBL2182177

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
TK1 P04183 2/20 0.36
EDNRB P24530 5/20 0.35
EDNRA P25101 5/20 0.35
KIF11 P52732 3/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ELANE P08246 1/20 0.34
DUT P33316 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
OPRM1 P35372 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CACNA1F O60840 1/20 0.33

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
SCHEMBL2179039 0.81 KMT2A (0.42) KMT2ATK1KIF11GRIN2DGRIN1
SCHEMBL2180294 0.77 TK1 (0.39) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL9365537 0.76 KIF11 (0.43) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL9365526 0.76 KIF11 (0.43) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL4535864 0.74 CYP2C19 (0.37) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL12409617 0.74 CYP2C19 (0.37) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL2178034 0.74 KIF11 (0.44) KMT2ATK1KIF11CYP2C19ELANE
SCHEMBL4525211 0.74 KIF11 (0.44) KMT2ATK1KIF11CYP2C19ELANE
SCHEMBL4527231 0.73 KIF11 (0.36) KMT2ATK1KIF11CYP2C19HIF1A
SCHEMBL2179966 0.72 PRKCA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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 (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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP KMT2A 1997/4885TK1 175/4885EDNRB 1522/4885

“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.