SCHEMBL19401232

SCHEMBL19401232

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
GRM5 P41594 5/20 0.41
NFE2L2 Q16236 2/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
FFAR1 O14842 2/20 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
SCHEMBL8979151 0.94 GRM5 (0.45) ACHEGRM5NFE2L2CA12CA2
SCHEMBL12700650 0.87 FFAR1 (0.40) ACHEGRM5CA12CA2CA9
SCHEMBL20886684 0.87 CA12 (0.46) GRM5CA12CA2CA9CA1
SCHEMBL25573627 0.85 ACHE (0.68) ACHEGRM5NFE2L2CA12CA2
SCHEMBL8979037 0.85 ALDH1A1 (0.57) ACHEGRM5CA12CA2CA9
SCHEMBL19403106 0.84 CA12 (0.41) ACHEGRM5CA12CA2CA9
SCHEMBL8979134 0.82 GRM5 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL20886674 0.82 APP (0.48) GRM5CA12CA2CA9CA1
SCHEMBL10018724 0.82 GRM5 (0.42) ACHEGRM5NFE2L2CA12CA2
SCHEMBL7858588 0.82 GRM5 (0.42) ACHEGRM5NFE2L2CA12CA2

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 12 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

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 ACHE 3108/4885GRM5 3822/4885NFE2L2 646/4885

“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.