SCHEMBL7119211

SCHEMBL7119211

COc1cccc(C(O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CETP P11597 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ACHE P22303 1/20 0.42
CASR P41180 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL16268417 0.84 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL1931183 0.82 FFAR1 (0.49) SMN1; SMN2CASR
SCHEMBL15792223 0.82 CETP (0.49) CETP
SCHEMBL3617945 0.82 AOC3 (0.51) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL8848404 0.82 PTGS1 (0.54) MEN1KMT2ACETPTSHR
SCHEMBL21077623 0.82 CETP (0.49) CETP
SCHEMBL306953 0.81 ABCB11 (0.54) L3MBTL1LMNATSHR
SCHEMBL11319569 0.81 AOC3 (0.54) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL20738700 0.80 TAAR1 (0.51) AOC3L3MBTL1MEN1LMNAPOLB
SCHEMBL6204296 0.79 AOC3 (0.56) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267629-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-9701620-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-11 US disclosed
US-20170158675-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-08 US disclosed
US-20170158597-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-08 US disclosed
US-9630910-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-04-25 US disclosed
US-9622477-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-04-18 US disclosed
US-20170022148-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-01-26 US disclosed
US-9538756-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-10 US disclosed
US-20160044925-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-18 US disclosed
US-20160037771-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-11 US disclosed
US-9212163-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-20140171314-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
US-20140171313-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
US-20140171315-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
US-20140171312-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO disclosed
EP-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 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 (11 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-20140171315-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20170267629-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20170158597-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20160037771-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20170022148-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20140171312-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20140171314-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20160044925-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20170158675-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20140171313-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS AOC3 1511/4885L3MBTL1 3693/4885CHRM2 605/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 AOC3 649/4885L3MBTL1 1685/4885CHRM2 510/4885

“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.