SCHEMBL10448697

SCHEMBL10448697

Cc1ccc(C#Cc2ccc(-c3ccc(C)c(F)c3F)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KCNH2 Q12809 2/20 0.35
CA1 P00915 2/20 0.35
FFAR1 O14842 3/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
ACHE P22303 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL7857715 0.93 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL12892514 0.93 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL4567628 0.90 GRM5 (0.39) GRM5CA12CA2CA9KCNH2
SCHEMBL9510036 0.86 GRM5 (0.39) GRM5CA12CA2CA9KCNH2
SCHEMBL9510167 0.82 ACHE (0.42) GRM5CA12CA2CA9KCNH2
SCHEMBL10448649 0.81 AAK1 (0.40) GRM5CA12CA2CA9KCNH2
SCHEMBL27073678 0.80 HPGD (0.33) ACHE
SCHEMBL20117677 0.78 CA12 (0.33) GRM5CA12CA2CA9KCNH2
SCHEMBL11891702 0.78 GRM5 (0.44) GRM5CA12CA2CA9KCNH2
SCHEMBL19400431 0.78 CYP1A2 (0.48) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433236-B1 CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
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
EP-2935513-B1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2018-03-07 EP disclosed
US-9790426-B2 Components for high-frequency technology, and liquid-crystalline media MERCK PATENT GMBH (DE) 2017-10-17 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-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 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-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
US-20130292608-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 US disclosed
WO-2012126576-A1 MESOGEN COMPOUNDS, LIQUID CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO 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
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
WO-2011066905-A1 COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY, LIQUID CRYSTAL MEDIA AND COMPOUNDS MERCK PATENT GMBH (DE) 2011-06-09 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-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA SFRP1, CRY1, MCM3 GRM5 3829/4885CA12 163/4885CA2 820/4885
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 GRM5 2068/4885CA12 1081/4885CA2 2822/4885
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.