SCHEMBL596238

SCHEMBL596238

FC(F)(F)CO[C](C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL28511181 0.78 HTT (0.35) HTT
SCHEMBL668270 0.77 HTT (0.54) HTTCA1CA2CA9
SCHEMBL600047 0.71
SCHEMBL31737119 0.71 HTT (0.42) HTT
SCHEMBL18125078 0.69 HTT (0.41) HTT
SCHEMBL4619005 0.69 HTT (0.41) HTT
SCHEMBL4619002 0.69 HTT (0.41) HTT
SCHEMBL3899296 0.69 HTT (0.41) HTT
SCHEMBL8606951 0.69 HTT (0.46) HTTCA1CA2CA9
SCHEMBL775532 0.69

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
EP-1731512-B9 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2017-03-01 EP disclosed
EP-2308857-B1 PROCESS FOR PRODUCTION OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-04-27 EP disclosed
US-9126995-B2 Method for catalytic asymmetric synthesis of optically active isoxazoline compound and optically active isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 US disclosed
US-20140350261-A1 METHOD FOR CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ISOXAZOLINE COMPOUND, AND OPTICALLY ACTIVE ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-27 US disclosed
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
US-7700808-B2 1-3-bis(substituted phenyl)-3-hydroxypropan-1-one or 2-propen-1-one compound, and salt thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-01-22 US disclosed
EP-1975149-A1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF Nissan Chemical Industries, Ltd. (JP) 2008-10-01 EP disclosed
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US disclosed
EP-1731512-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-12-13 EP disclosed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP disclosed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP 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 (7 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-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 HTT 675/4885CA1 343/4885CA2 1145/4885
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND ADH1C, CYP2E1, ADH1A HTT 578/4885CA1 664/4885CA2 1540/4885
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof HCN1, CNPY2, CLIC1 HTT 1873/4885CA1 1349/4885CA2 294/4885
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent L3MBTL1, L3MBTL3, L3MBTL4 HTT 3583/4885CA1 975/4885CA2 144/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 HTT 2820/4885CA1 1415/4885CA2 249/4885
US-20140350261-A1 METHOD FOR CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ISOXAZOLINE COMPOUND, AND OPTICALLY ACTIVE ISOXAZOLINE COMPOUND CYP3A7, CYP2A7, CYP8B1 HTT 2539/4885CA1 1961/4885CA2 1933/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 HTT 675/4885CA1 343/4885CA2 1145/4885

“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.