SCHEMBL11891702

SCHEMBL11891702

Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
KCNH2 Q12809 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
ACHE P22303 2/20 0.37
FFAR1 O14842 7/20 0.37
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12696828 0.91 GRM5 (0.38) GRM5CA12CA2CA9KCNH2
SCHEMBL11891673 0.88 ACHE (0.48) GRM5CA12CA2CA9KCNH2
SCHEMBL19790006 0.86 KCNH2 (0.34) GRM5CA12CA2CA9KCNH2
SCHEMBL19790048 0.86 APP (0.48) GRM5CA12CA2CA9KCNH2
SCHEMBL19308574 0.84 GRM5 (0.52) GRM5CA12CA2CA9KCNH2
SCHEMBL7857715 0.84 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL12892514 0.84 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL4567628 0.81 GRM5 (0.39) GRM5CA12CA2CA9KCNH2
SCHEMBL9510036 0.81 GRM5 (0.39) GRM5CA12CA2CA9KCNH2
SCHEMBL19789971 0.81 APP (0.39) GRM5CA12CA2CA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262795-A1 CYANOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
US-10442990-B2 Mesogenic compounds, liquid crystal media and components for high frequency technology MERCK PATENT GMBH (DE) 2019-10-15 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-9938462-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
WO-2017162707-A1 CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2017-09-28 WO disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 US 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-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 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-20160002533-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-01-07 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
WO-2014094973-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2014-06-26 WO 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-20140021409-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-2012126563-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2012126565-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA, AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2012097853-A1 LIQUID CRYSTALLINE MEDIA, COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 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 (2 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-20150322344-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MIF, SFRP1, MCM3 GRM5 3161/4885CA12 212/4885CA2 587/4885
US-20200262795-A1 CYANOPYRIMIDINE DERIVATIVES MCM6, MCM4, MCM2 GRM5 2345/4885CA12 1247/4885CA2 677/4885

“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.