SCHEMBL91882

SCHEMBL91882

Cc1ccc(-c2ccc(-c3cc(F)c(N=C=S)c(F)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PTGS2 P35354 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PTGS1 P23219 1/20 0.33
AR P10275 1/20 0.33
ACHE P22303 1/20 0.32
NFE2L2 Q16236 1/20 0.31
MAOB P27338 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
SCHEMBL14586541 1.00 NAAA (0.35) NAAAGABRA1GABRB2CYP11B1CYP11B2
SCHEMBL21396343 0.92 GRM5 (0.34) NAAAGABRA1GABRB2CYP11B1CYP11B2
SCHEMBL24390780 0.92 NAAA (0.33) NAAAGABRA1GABRB2CYP11B1CYP11B2
SCHEMBL19403095 0.92 NAAA (0.33) NAAAGABRA1GABRB2CYP11B1CYP11B2
SCHEMBL18626185 0.91 NFE2L2 (0.46) CYP11B1PTGS2CYP1A2MAPTPTGS1
SCHEMBL14207025 0.91 NFE2L2 (0.46) CYP11B1PTGS2CYP1A2MAPTPTGS1
SCHEMBL91996 0.89 PDE3B (0.36) NAAAGABRA1GABRB2CYP11B1CYP11B2
SCHEMBL18553085 0.88 PTGS2 (0.33) NAAAPTGS2CYP1A2MAPTCYP2C19
SCHEMBL18553086 0.88 PTGS2 (0.33) NAAAPTGS2CYP1A2MAPTCYP2C19
SCHEMBL23509925 0.87

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 91 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-20230235228-A1 LIQUID CRYSTAL (LC) COMPOSITION WITH EXTREMELY-LOW DIELECTRIC LOSS AND HIGH-FREQUENCY COMPONENT INCLUDING SAME XI'AN MODERN CHEMISTRY RESEARCH INSTITUTE (CN) 2023-07-27 US disclosed
WO-2023117724-A1 ISOTHIOCYANATOETHYNYLBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-20120012785-A1 Liquid Crystal System And Liquid Crystal Display SCHOTT CECILE (TW) 2012-01-19 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
WO-2011009524-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2011-01-27 WO disclosed
US-20100258763-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY SCHOTT CECILE 2010-10-14 US disclosed
US-7794621-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2010-09-14 US disclosed
US-20090267025-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-29 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 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-7361288-B2 Components for high-frequency technology MERCK PATENT GESELLSCHAFT MIT BESSCHRANKTER HAFTUNG (DE) 2008-04-22 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 NAAA 3756/4885GABRA1 3522/4885GABRB2 3688/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 NAAA 3881/4885GABRA1 3621/4885GABRB2 4153/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK NAAA 4645/4885GABRA1 4142/4885GABRB2 3866/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 NAAA 3694/4885GABRA1 3515/4885GABRB2 3537/4885

“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.