SCHEMBL8979151

SCHEMBL8979151

Cc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
ACHE P22303 2/20 0.39
FFAR1 O14842 6/20 0.38
NFE2L2 Q16236 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL19401232 0.94 ACHE (0.50) GRM5CA12CA2CA9CA1
SCHEMBL20886684 0.92 CA12 (0.46) GRM5CA12CA2CA9CA1
SCHEMBL12700650 0.92 FFAR1 (0.40) GRM5CA12CA2CA9CA1
SCHEMBL8979037 0.91 ALDH1A1 (0.57) GRM5CA12CA2CA9CA1
SCHEMBL19403106 0.89 CA12 (0.41) GRM5CA12CA2CA9CA1
SCHEMBL8979134 0.88 GRM5 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL10018724 0.88 GRM5 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL7858588 0.88 GRM5 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL8978800 0.88 FFAR1 (0.41) GRM5CA12CA2CA9CA1
SCHEMBL8978969 0.85 FFAR1 (0.46) KCNH2CYP2A6FFAR1FFAR4

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-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
EP-3529331-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-10-07 EP disclosed
US-10711195-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2020-07-14 US disclosed
US-10662377-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2020-05-26 US disclosed
EP-3433337-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
US-20190330530-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-20190106626-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-04-11 US disclosed
US-20190100695-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-04-04 US disclosed
WO-2018077765-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 WO disclosed
WO-2017162717-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-09-28 WO disclosed
WO-2017162716-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-09-28 WO disclosed
EP-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 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-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 GRM5 3822/4885CA12 213/4885CA2 1521/4885

“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.