SCHEMBL613564

SCHEMBL613564

CCC(CC)(C(=O)O)C(=O)Oc1cc(-c2cccc(Cl)c2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
DCLRE1B Q9H816 1/20 0.41
SLC6A9 P48067 1/20 0.40
CNR2 P34972 3/20 0.39
MAPT P10636 1/20 0.38
MDM2 Q00987 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 1/20 0.37
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
CTSA P10619 1/20 0.37
MCL1 Q07820 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MMEL1 Q495T6 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALOX5 P09917 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL812909 0.91 ESR2 (0.48) ESR2DCLRE1BSLC6A9CNR2MAPT
SCHEMBL7102811 0.86 SLC6A9 (0.39) ESR2DCLRE1BSLC6A9CNR2MAPT
SCHEMBL6049534 0.74 TDP1 (0.49) MAPTFFAR1
SCHEMBL23706391 0.72 ESR2 (0.43) ESR2DCLRE1BSLC6A9MAPTMDM2
SCHEMBL23717944 0.69 ESR2 (0.48) ESR2DCLRE1BMAPTALOX5
SCHEMBL7248442 0.69 ESR2 (0.51) ESR2DCLRE1BSLC6A9MAPTFFAR1
SCHEMBL23717575 0.69 ESR2 (0.42) ESR2DCLRE1BSLC6A9CNR2MAPT
SCHEMBL30168599 0.69 ESR2 (0.42) ESR2DCLRE1BSLC6A9CNR2MAPT
SCHEMBL10024258 0.68 DCLRE1B (0.57) ESR2DCLRE1BMDM2PTGER4PTGER2
SCHEMBL10024224 0.68 DCLRE1B (0.61) ESR2DCLRE1BPTGER4PTGER2MCL1

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-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-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-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-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-6806264-B2 PESTICIDES AND HERBICIDES; WOOD PROTECTANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-10-19 US disclosed
US-20040127365-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2004-07-01 US disclosed
US-6693092-B2 HERBICIDES; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
US-20030073851-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2003-04-17 US disclosed
US-6458965-B1 HERBICIDES, ANTIGROWTH AGENTS AND SURFACTANTS FOR WOOD PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 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 (6 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 ESR2 2752/4885DCLRE1B 1271/4885SLC6A9 3355/4885
US-20030073851-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP2E1, CYP21A2 ESR2 1416/4885DCLRE1B 1957/4885SLC6A9 2615/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ESR2 2752/4885DCLRE1B 1271/4885SLC6A9 3355/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ESR2 2752/4885DCLRE1B 1271/4885SLC6A9 3355/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ESR2 2752/4885DCLRE1B 1271/4885SLC6A9 3355/4885
US-20040127365-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP2E1, CYP21A2 ESR2 1416/4885DCLRE1B 1957/4885SLC6A9 2615/4885

“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.