SCHEMBL812402

SCHEMBL812402

CC1NC(=O)C(c2ccc(-c3cccc(Cl)c3)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.49
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GRM2 Q14416 1/20 0.41
TDP2 O95551 2/20 0.40
MAOB P27338 2/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL6207998 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRGRM2
SCHEMBL812401 0.78 PGR (0.40) PGRALDH1A1MAPT
SCHEMBL6207995 0.75 PGR (0.40) PGRALDH1A1MAPTHPGD
SCHEMBL8650400 0.72 GAA (0.54) PGRALDH1A1MAPTHPGDTSHR
SCHEMBL8557122 0.71 GAA (0.42) PGRTAAR1ALDH1A1MAPTHPGD
SCHEMBL16394285 0.69 TAAR1 (0.71) PGRTAAR1TDP2MAOB
SCHEMBL31491189 0.69 TAAR1 (0.71) PGRTAAR1TDP2MAOB
SCHEMBL4433341 0.68 GAA (0.40) ALDH1A1HPGD
SCHEMBL20669453 0.67 TAAR1 (0.68) PGRTAAR1TDP2MAOB
SCHEMBL18533568 0.65 TAAR1 (0.52) PGRTAAR1TDP2MAOB

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 13 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-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 (4 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 1039/4885TAAR1 1806/4885ALDH1A1 2523/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 PGR 1538/4885TAAR1 1914/4885ALDH1A1 2569/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885TAAR1 1914/4885ALDH1A1 2569/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 PGR 994/4885TAAR1 1520/4885ALDH1A1 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.