SCHEMBL945792

SCHEMBL945792

Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
TSHR P16473 2/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
KIF11 P52732 3/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NR1H2 P55055 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL31315637 1.00 GAA (0.57) GAATSHRGLAPOLBKIF11
SCHEMBL436804 0.85 GAA (0.59) GAATSHRGLAPOLBKIF11
SCHEMBL29404322 0.85 GAA (0.59) GAATSHRGLAPOLBKIF11
SCHEMBL1149036 0.84 TSHR (0.46) GAATSHRGLAPOLBALDH1A1
SCHEMBL10357262 0.84 TSHR (0.53) GAATSHRGLAPOLBKIF11
SCHEMBL22607198 0.83 GAA (0.69) GAATSHRGLAPOLBKIF11
Hydrochloric Acid SCHEMBL8863493 0.83 GAA (0.57) GAATSHRGLAPOLBKIF11
SCHEMBL9367414 0.83 GAA (0.40) GAATSHRGLAPOLBKIF11
SCHEMBL11142948 0.82 GAA (0.52) GAATSHRGLAPOLBKIF11
SCHEMBL22606816 0.82 GAA (0.67) GAATSHRGLAPOLBKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129023-B1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS LLC (US) 2021-02-24 EP disclosed
EP-3129023-B1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS LLC (US) 2021-02-24 EP disclosed
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 EP disclosed
US-10377744-B2 Potent soluble epdxide hydrolase inhibitors EICOSIS, LLC (US) 2019-08-13 US disclosed
US-10377744-B2 Potent soluble epdxide hydrolase inhibitors EICOSIS, LLC (US) 2019-08-13 US disclosed
US-20170174665-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS, LLC 2017-06-22 US disclosed
US-20170174665-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS, LLC 2017-06-22 US disclosed
EP-3129023-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS Eicosis, LLC (US) 2017-02-15 EP disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 US disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 US disclosed
CN-1234695-C N-alkoxyalkyl-substituted benzimidazoles and use thereof as active agent aginst parasitic protozoans BAYER AG (DE) 2006-01-04 CN disclosed
EP-1326845-B1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS BAYER HEALTHCARE AG (DE) 2005-12-14 EP disclosed
US-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans BAYER AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
CN-1479725-A N-alkoxyalkyl-substituted benzimidazoles and use thereof as active agent aginst parasitic protozoans 2004-03-03 CN disclosed
EP-1326845-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
WO-2002030909-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-18 WO disclosed
US-4960539-A Use of fluoromethylphenols as solvents for LC-polymers, and new fluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0286953-B1 USE OF FLUOROMETHYL PHENOLS AS SOLVENTS FOR LC POLYMERS, AND FLUOROMETHYL PHENOLS BAYER AG (DE) 1990-09-26 EP disclosed
EP-0286953-A1 Use of fluoromethyl phenols as solvents for LC polymers, and fluoromethyl phenols BAYER AG (DE) 1988-10-19 EP disclosed
EP-0180818-A2 Benzoyl ureas and intermediates BAYER AG (DE) 1986-05-14 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 (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-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans PIGO, EPX, PIGK GAA 995/4885TSHR 3153/4885GLA 3064/4885
US-10377744-B2 Potent soluble epdxide hydrolase inhibitors EPHX1, EPHX2, LTA4H GAA 2237/4885TSHR 4427/4885GLA 3279/4885
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS KCNH3, KCNH2, KCNJ11 GAA 924/4885TSHR 790/4885GLA 3281/4885
US-20170174665-A1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H GAA 1917/4885TSHR 4673/4885GLA 3511/4885

“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.