SCHEMBL2485987

SCHEMBL2485987

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

nearest known ligand 0.38

Predicted protein targets (top 8)

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
CYP1A2 P05177 1/20 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
SCHEMBL9913188 0.92 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL18746886 0.92 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL15388222 0.88 ALOX5AP (0.41) ALOX5APFEN1ERN1GPR3CYP1A2
SCHEMBL19557550 0.86 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3CYP1A2
SCHEMBL19557556 0.86 ALOX5AP (0.38) ALOX5APFEN1ERN1GPR3CYP1A2
SCHEMBL12226114 0.85 GPR3 (0.40) ALOX5APFEN1ERN1GPR3CYP1A2
SCHEMBL14235285 0.84 ALOX5AP (0.39) ALOX5APFEN1ERN1GPR3GRM2
SCHEMBL2395180 0.83
SCHEMBL12760431 0.83 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL15388497 0.83 ERN1 (0.40) ALOX5APFEN1ERN1GPR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668174-B1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
EP-2668174-B1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20130306908-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130306908-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
EP-2377909-B1 Liquid crystalline compounds and liquid crystalline media MERCK PATENT GMBH (DE) 2013-01-23 EP disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
EP-2377909-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-10-19 EP disclosed
EP-2377909-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-10-19 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 (1 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-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT ALOX5AP 1014/4885FEN1 3980/4885ERN1 4270/4885

“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.