SCHEMBL91864

SCHEMBL91864

Cc1ccc(-c2ccc(C#Cc3c(F)cc(C)cc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
KCNH2 Q12809 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PTGS2 P35354 2/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADK P55263 1/20 0.33
PTGS1 P23219 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
SCHEMBL10018723 0.94 GRM5 (0.44) GRM5KCNH2CA12CA1CA2
SCHEMBL19403026 0.91 GRM5 (0.37) GRM5KCNH2CA12CA1CA2
SCHEMBL15077190 0.91 GRM5 (0.39) GRM5KCNH2CA12CA1CA2
SCHEMBL8979109 0.86 GRM5 (0.44) GRM5KCNH2CA12CA1CA2
SCHEMBL23602326 0.86 ALDH1A1 (0.47) GRM5KCNH2CA12CA1CA2
SCHEMBL15014376 0.86 CYP1A2 (0.46) GRM5KCNH2CA12CA1CA2
SCHEMBL20005194 0.85 GRM5 (0.40) GRM5KCNH2CA12CA1CA2
SCHEMBL13198905 0.85 APP (0.46) GRM5KCNH2ATML3MBTL1
SCHEMBL13198903 0.85 APP (0.39) GRM5KCNH2CYP1A2MEN1KMT2A
SCHEMBL23600265 0.85 FFAR1 (0.36) GRM5KCNH2CA12CA1CA2

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 238 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
WO-2023232753-A1 FERROELECTRIC SMECTIC LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-12-07 WO 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
EP-3810724-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-11-22 EP disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11762241-B2 Device for the regulation of light transmission MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20080100776-A1 Liquid Crystal Display Device and Electronic Device Having the Same SHARP KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
US-7294368-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-11-13 US disclosed
US-20070229732-A1 CHIRAL COMPOUNDS TAUGERBECK ANDREAS 2007-10-04 US disclosed
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
US-7255811-B2 Tolane derivatives and liquid crystalline medium MERCK PATENT GMBH (DE) 2007-08-14 US disclosed
US-7223450-B2 Chiral compounds MERCK GMBH (DE) 2007-05-29 US disclosed
US-7220464-B2 Nematic liquid-crystal mixture, and displays containing same MERCK PATENT GESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7198828-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 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 (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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 GRM5 3081/4885KCNH2 117/4885CA12 1797/4885
US-20070229732-A1 CHIRAL COMPOUNDS F12, F2, C1S GRM5 4198/4885KCNH2 2573/4885CA12 822/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK GRM5 2951/4885KCNH2 1169/4885CA12 166/4885

“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.