SCHEMBL812909

SCHEMBL812909

CCC(CC)(C(=O)O)C(=O)Oc1ccc(-c2cccc(Cl)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
SLC6A9 P48067 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.40
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
DCLRE1B Q9H816 1/20 0.39
CTSA P10619 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 1/20 0.38
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
CNR2 P34972 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL613564 0.91 ESR2 (0.45) ESR2SLC6A9DCLRE1BCTSAFFAR1
SCHEMBL7102811 0.86 SLC6A9 (0.39) ESR2SLC6A9MRGPRX4PPARGPPARD
SCHEMBL7248442 0.80 ESR2 (0.51) ESR2SLC6A9MRGPRX4PPARGPPARD
SCHEMBL6049534 0.77 TDP1 (0.49) MRGPRX4FFAR1MAPT
SCHEMBL21922956 0.70 ESR1 (0.40) ESR2
SCHEMBL22641753 0.69 ESR1 (0.41) ESR2
SCHEMBL22238733 0.69 ESR1 (0.41) ESR2
SCHEMBL10024224 0.68 DCLRE1B (0.61) ESR2DCLRE1B
SCHEMBL7571401 0.67 PPARG (0.52) SLC6A9MRGPRX4PPARGPPARDPPARA
SCHEMBL4602328 0.67 PTPN11 (0.56) SLC6A9DCLRE1BCTSAMAPT

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 11 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
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

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 ESR2 1670/4885SLC6A9 2773/4885MRGPRX4 2184/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 ESR2 1810/4885SLC6A9 2823/4885MRGPRX4 2812/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ESR2 1810/4885SLC6A9 2823/4885MRGPRX4 2812/4885
US-20040167031-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 ESR2 1371/4885SLC6A9 2820/4885MRGPRX4 2214/4885
US-20020188136-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, CYP21A2, KCNQ3 ESR2 1398/4885SLC6A9 2850/4885MRGPRX4 2173/4885

“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.