SCHEMBL812401

SCHEMBL812401

CC1NC(=O)C(c2ccc(-c3ccccc3)cc2Cl)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
CREBBP Q92793 3/20 0.34
BRPF1 P55201 1/20 0.34
BRD4 O60885 3/20 0.34
TET2 Q6N021 1/20 0.33
TET1 Q8NFU7 1/20 0.33
PTGES O14684 1/20 0.33
SMO Q99835 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
AURKA O14965 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL6207995 0.89 PGR (0.40) PGRESR2ALDH1A1HTTGAA
SCHEMBL8650400 0.81 GAA (0.54) PGRALDH1A1HTTGAASMN1; SMN2
SCHEMBL7098243 0.80 ESR2 (0.35) ESR2ALDH1A1HTTGAASMN1; SMN2
SCHEMBL812402 0.78 PGR (0.49) PGRALDH1A1MAPT
SCHEMBL6832170 0.75 ELANE (0.36) GAA
SCHEMBL6207998 0.70 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2TNKS2MAPT
SCHEMBL7098248 0.69 ELANE (0.36) ALDH1A1SMN1; SMN2PTGESTNKS2MAPT
SCHEMBL4433341 0.68 GAA (0.40) ALDH1A1GAA
SCHEMBL811954 0.65 ESR2 (0.43) PGRESR2HTTSMN1; SMN2MAPT
SCHEMBL812654 0.65 PGR (0.50) 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 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 1039/4885ESR2 1670/4885ALDH1A1 2523/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 PGR 1538/4885ESR2 1810/4885ALDH1A1 2569/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885ESR2 1810/4885ALDH1A1 2569/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 PGR 994/4885ESR2 1398/4885ALDH1A1 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.