SCHEMBL4567628

SCHEMBL4567628

Cc1ccc(-c2ccc(C#Cc3ccc(C)c(F)c3F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
KCNH2 Q12809 3/20 0.38
CA1 P00915 2/20 0.37
FFAR1 O14842 2/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ADK P55263 2/20 0.33
ACHE P22303 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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 0.96 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL12892514 0.96 GRM5 (0.41) GRM5CA12CA2CA9KCNH2
SCHEMBL10448697 0.90 GRM5 (0.37) GRM5CA12CA2CA9KCNH2
SCHEMBL19400431 0.88 CYP1A2 (0.48) GRM5CA12CA2CA9KCNH2
SCHEMBL27073678 0.82 HPGD (0.33) ACHE
SCHEMBL9510036 0.82 GRM5 (0.39) GRM5CA12CA2CA9KCNH2
SCHEMBL11891702 0.81 GRM5 (0.44) GRM5CA12CA2CA9KCNH2
SCHEMBL12892512 0.81 GRM5 (0.38) GRM5CA12CA2CA9KCNH2
SCHEMBL12892513 0.81 GRM5 (0.38) GRM5CA12CA2CA9KCNH2
SCHEMBL9512484 0.80 AAK1 (0.44) 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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
WO-2022090098-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
US-9657231-B2 Liquid crystal medium and high-frequency components containing the same MERCK PATENT GMBH (DE) 2017-05-23 US disclosed
US-20170137713-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170137713-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170130129-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-20170130129-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
EP-2982730-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME Merck Patent GmbH (DE) 2016-02-10 EP disclosed
WO-2016008568-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
US-20120119141-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-05-17 US 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 (4 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 GRM5 3081/4885CA12 1797/4885CA2 1678/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 GRM5 4405/4885CA12 1826/4885CA2 2240/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 GRM5 3822/4885CA12 213/4885CA2 1521/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 GRM5 4115/4885CA12 1706/4885CA2 2149/4885

“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.