SCHEMBL5797741

SCHEMBL5797741

CCC1(CC)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.70
MAPK13 O15264 10/20 0.61
MAPK12 P53778 10/20 0.61
MAPK11 Q15759 10/20 0.61
MAPK14 Q16539 10/20 0.61
CSNK1A1 P48729 2/20 0.56
CSNK1D P48730 2/20 0.56
RPS6KA3 P51812 1/20 0.56
MAPK9 P45984 4/20 0.56
RAF1 P04049 3/20 0.56
GCGR P47871 2/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
FRK P42685 1/20 0.49
GSK3B P49841 1/20 0.49
PTK6 Q13882 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL5770995 0.88 SOAT1 (0.68) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769076 0.87 MAPK14 (0.64) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768771 0.86 MAPK13 (0.65) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772456 0.86 MAPK13 (0.65) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771323 0.85 MAPK13 (0.61) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769272 0.85 MAPK13 (0.61) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770379 0.83 MAPK14 (0.59) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9737518 0.83 SOAT1 (1.00) SOAT1
SCHEMBL5769642 0.82 MAPK13 (0.74) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770167 0.82 MAPK13 (0.74) SOAT1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN claimed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US claimed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN claimed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP claimed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO claimed
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 SOAT1 859/4885MAPK13 1610/4885MAPK12 2766/4885

“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.