SCHEMBL5539059

SCHEMBL5539059

Cc1ccc(-c2ccc(C)c(C(=C=O)C(=O)Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.45
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.35
FTO Q9C0B1 1/20 0.35
CHRNA7 P36544 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 1/20 0.33
HNF4A P41235 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
PARP1 P09874 1/20 0.33
KIF11 P52732 1/20 0.33
PTPN5 P54829 1/20 0.33
IKBKE Q14164 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
SCHEMBL812041 0.75 AKR1C2 (0.44) MCL1AKR1C2AKR1C1CYP1A2DHODH
SCHEMBL4966627 0.74 MCL1 (0.70) MCL1AKR1C2AKR1C1DHODHFTO
SCHEMBL4678894 0.74 BCHE (0.33) MAPTKMT2A
SCHEMBL5745612 0.74 HPGD (0.43) DHODHKMT2A
SCHEMBL9153003 0.72 MCL1 (0.48) MCL1AKR1C2AKR1C1MEN1KMT2A
SCHEMBL14432141 0.71 GPR27 (0.36) MAPTDHODHMEN1KMT2A
SCHEMBL14846043 0.71 AKR1C3 (0.53) MCL1MAPTDHODHMEN1KMT2A
SCHEMBL7666837 0.70 ALDH1A1 (0.50) MCL1CYP1A2MAPTCYP2C19KMT2A
SCHEMBL6947137 0.69 FLT1 (0.44) MAPTMEN1KMT2A
SCHEMBL7328943 0.68 TSHR (0.50) MCL1CYP1A2MAPTCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8586783-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 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 (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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD MCL1 480/4885AKR1C2 1592/4885AKR1C1 1185/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MCL1 480/4885AKR1C2 1592/4885AKR1C1 1185/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MCL1 480/4885AKR1C2 1592/4885AKR1C1 1185/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD MCL1 480/4885AKR1C2 1592/4885AKR1C1 1185/4885

“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.