SCHEMBL812654

SCHEMBL812654

CC1(C)NC(=O)C(c2ccc(-c3cccc(Cl)c3)cc2Cl)C1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.50
TDP2 O95551 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL6211150 0.91 PGR (0.52) PGRTDP2TAAR1MMP2MMP9
SCHEMBL7102762 0.84 PGR (0.40) PGRTDP2
SCHEMBL5231465 0.77 SLC9A1 (0.41)
SCHEMBL8555344 0.76 CACNB4 (0.38) PGRTAAR1
SCHEMBL11025445 0.75 ACACB (0.38) PGRTDP2
SCHEMBL6589363 0.75 AR (0.37) PGR
SCHEMBL6211155 0.74 PGR (0.43) PGR
SCHEMBL7142077 0.72 GRIN2D (0.35) PGR
SCHEMBL5234343 0.71 CES1 (0.34)
SCHEMBL11027191 0.71 BRD4 (0.37) PGR

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
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
EP-1056717-B1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2005-07-20 EP 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
EP-1056717-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS Bayer Aktiengesellschaft (DE) 2000-12-06 EP disclosed
WO-1999043649-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-02 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 (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 PGR 1039/4885TDP2 2973/4885TAAR1 1806/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 PGR 1538/4885TDP2 2132/4885TAAR1 1914/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885TDP2 2132/4885TAAR1 1914/4885
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 PGR 1007/4885TDP2 3110/4885TAAR1 1550/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 PGR 994/4885TDP2 3063/4885TAAR1 1520/4885

“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.