SCHEMBL1275697

SCHEMBL1275697

CCOC(=O)C(C(=O)OCC)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.45
MMP8 P22894 1/20 0.44
POLB P06746 1/20 0.44
CTSA P10619 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.42
SLC6A2 P23975 2/20 0.41

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
SCHEMBL3666223 0.95 GPR139 (0.44) GPR139MMP8POLBCTSATRPM8
SCHEMBL21287988 0.86 TRPM8 (0.43) GPR139POLBTRPM8TSHRMAPK1
Hydrochloric Acid SCHEMBL28936698 0.85 TRPM8 (0.42) GPR139POLBTRPM8TSHRMAPK1
Hydrochloric Acid SCHEMBL28936699 0.85 TRPM8 (0.42) GPR139POLBTRPM8TSHRMAPK1
SCHEMBL15647495 0.82 POLB (0.55) MMP8POLBTSHRL3MBTL1
SCHEMBL1433326 0.82 L3MBTL1 (0.56) MMP8TSHRMAPK1TDP1L3MBTL1
SCHEMBL1275951 0.80 CTSA (0.47) GPR139CTSATRPM8TSHR
SCHEMBL22965287 0.80 POLB (0.45) GPR139POLBCTSATRPM8
SCHEMBL30836057 0.79 CES2 (0.49) MMP8POLB
SCHEMBL1043810 0.79 CES2 (0.49) MMP8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314025-B2 Mixtures of mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-9018220-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-03 US disclosed
US-8697707-B2 Mixtures of mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-15 US disclosed
US-20130338002-A1 MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-19 US disclosed
US-8552007-B2 Mesoionic pesticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
EP-2240454-B1 MESOIONIC PESTICIDES DU PONT (US) 2013-04-24 EP disclosed
EP-2559687-A1 Mesoionic pesticides E. I. du Pont de Nemours and Company (US) 2013-02-20 EP disclosed
EP-2461685-A2 MIXTURES OF MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
WO-2011017351-A2 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 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-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 GPR139 1288/4885MMP8 4564/4885POLB 4120/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 GPR139 451/4885MMP8 4298/4885POLB 4546/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 GPR139 1288/4885MMP8 4564/4885POLB 4120/4885
US-20130338002-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 GPR139 451/4885MMP8 4298/4885POLB 4546/4885

“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.