SCHEMBL812910

SCHEMBL812910

CCOC(=O)C(C(=O)OCC)c1cccc(-c2cccc(C)c2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 13/20 0.54
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL1274044 0.90 CTSA (0.52) CTSAMMP8ALDH1A1MAPT
SCHEMBL7102817 0.87 MMP8 (0.42) CTSAMMP8ALDH1A1MAPTHSD17B10
SCHEMBL9052329 0.77 MMP8 (0.50) MMP8ALDH1A1MAPT
SCHEMBL27548404 0.76 MAPT (0.41) CTSAALDH1A1MAPTHTTHSD17B10
SCHEMBL1274836 0.76 MEN1 (0.45) CTSAMAPT
SCHEMBL1491141 0.74 MMP8 (0.53) MMP8ALDH1A1MAPTHTT
SCHEMBL27389290 0.73 TSHR (0.43) CTSAALDH1A1MAPTHSD17B10
SCHEMBL20346320 0.71 MMP8 (0.50) MMP8ALDH1A1
SCHEMBL29824513 0.71 MMP8 (0.54) CTSAMMP8ALDH1A1MAPT
SCHEMBL290364 0.71 MMP8 (0.54) CTSAMMP8ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7105471-B2 Arylphenyl-substituted cyclic ketoenols BAYER AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
US-20060122061-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER 2006-06-08 US disclosed
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2004-08-26 US disclosed
US-6716832-B2 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2002-12-12 US disclosed
US-6417370-B1 HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 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 (5 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-20060122061-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, KCNQ2 CTSA 3457/4885MMP8 4413/4885ALDH1A1 2523/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 CTSA 3194/4885MMP8 4215/4885ALDH1A1 2569/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 CTSA 3194/4885MMP8 4215/4885ALDH1A1 2569/4885
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 CTSA 3364/4885MMP8 4382/4885ALDH1A1 1607/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 CTSA 3415/4885MMP8 4417/4885ALDH1A1 1648/4885

“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.