SCHEMBL5770040

SCHEMBL5770040

COc1ccc(CNc2nccc(-c3[nH]c(C4OCC(C)(C(=O)NC5CCCCC5)CO4)nc3-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.65
MAPK13 O15264 10/20 0.65
MAPK12 P53778 10/20 0.65
MAPK11 Q15759 10/20 0.65
MAPK9 P45984 2/20 0.47
RAF1 P04049 1/20 0.46
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5767370 0.97 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5768890 0.95 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771104 0.93 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767815 0.93 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770449 0.92 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768996 0.90 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770971 0.90 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771395 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5796223 0.89 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771771 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK14 1915/4885MAPK13 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.