SCHEMBL9913188

SCHEMBL9913188

Fc1cc(OC(F)(F)c2c(F)cc(Br)cc2F)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
ERN1 O75460 1/20 0.32
GPR3 P46089 3/20 0.32
GRM2 Q14416 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL2485987 0.92 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL12760431 0.92 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL15388222 0.88 ALOX5AP (0.41) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL17407700 0.87 ALOX5AP (0.39) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL18099489 0.86 ERN1 (0.42) ALOX5APFEN1ERN1GRM2FFAR1
SCHEMBL10021838 0.86 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL19557566 0.86 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL18750575 0.85 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL12357204 0.85 GPR3 (0.40) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL19465064 0.85 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156388-B1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-01-30 EP disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
EP-3156388-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-04-19 EP disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 US disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 US disclosed
EP-2319897-B1 Liquid crystal compounds MERCK PATENT GMBH (DE) 2012-06-20 EP disclosed
US-8197709-B2 Liquid-crystalline compounds MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2012-06-12 US disclosed
US-8197709-B2 Liquid-crystalline compounds MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2012-06-12 US disclosed
EP-2319897-A1 Liquid crystal compounds Merck Patent GmbH (DE) 2011-05-11 EP disclosed
US-20110101271-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-20110101271-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 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 (3 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-20110101271-A1 LIQUID-CRYSTALLINE COMPOUNDS GJB2, GIGYF2, AQP3 ALOX5AP 1645/4885FEN1 4228/4885ERN1 4168/4885
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, HAX1 ALOX5AP 461/4885FEN1 744/4885ERN1 970/4885
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, TLN1, TCOF1 ALOX5AP 839/4885FEN1 1625/4885ERN1 853/4885

“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.