SCHEMBL12814531

SCHEMBL12814531

Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
GPR3 P46089 1/20 0.35
GRM2 Q14416 1/20 0.33
ERN1 O75460 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
APP P05067 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 1/20 0.30
RPS6KA3 P51812 1/20 0.30
PDK2 Q15119 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
SCHEMBL15374870 0.99 ALOX5AP (0.39) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL14767335 0.99 ALOX5AP (0.39) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL17951018 0.97 ALOX5AP (0.40) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL12624690 0.96 ALOX5AP (0.39) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL15933152 0.95 ALOX5AP (0.34) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL2741563 0.95 ALOX5AP (0.34) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL17951017 0.94 PDE3B (0.34) ALOX5APFEN1GRM2PDE3BPDE3A
SCHEMBL12625439 0.94 ALOX5AP (0.36) ALOX5APFEN1GPR3ERN1PDE3B
SCHEMBL14235285 0.92 ALOX5AP (0.39) ALOX5APFEN1GPR3GRM2ERN1
SCHEMBL11891864 0.91 ALOX5AP (0.39) ALOX5APFEN1GPR3GRM2ERN1

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
US-20190185747-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 US disclosed
US-9938462-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9790426-B2 Components for high-frequency technology, and liquid-crystalline media MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
WO-2017162707-A1 CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2017-09-28 WO disclosed
US-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9540566-B2 Devices for high-frequency technology, liquid-crystalline media and compounds MERCK PATENT GMBH (DE) 2017-01-10 US disclosed
US-9523037-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2016-12-20 US disclosed
US-9296948-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2016-02-18 US disclosed
US-20160002533-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9193905-B2 Devices for high-frequency technology, liquid-crystalline media and compounds MERCK PATENT GMBH (DE) 2015-11-24 US disclosed
US-20150322344-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20140021405-A1 MESOGENIC COMPOUNDS, LIQUID-CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20130292608-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
WO-2011035863-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-03-31 WO 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-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 ALOX5AP 2044/4885FEN1 3313/4885GPR3 1579/4885
US-20150322344-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MIF, SFRP1, MCM3 ALOX5AP 3739/4885FEN1 3855/4885GPR3 1868/4885
US-20190185747-A1 LIQUID-CRYSTALLINE MEDIUM CCNI, CCNT2, C1QBP ALOX5AP 3096/4885FEN1 4227/4885GPR3 2372/4885

“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.