SCHEMBL12895669

SCHEMBL12895669

CC1CCC(C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL18503351 1.00 NOS3 (0.31) NOS3NOS1NOS2MAOBMAOA
SCHEMBL9764135 0.95 NOS3 (0.33) NOS3NOS1NOS2MAOBMAOA
SCHEMBL9764129 0.95 NOS3 (0.33) NOS3NOS1NOS2MAOBMAOA
SCHEMBL9763573 0.93 NOS3 (0.32) NOS3NOS1NOS2MAOBMAOA
SCHEMBL9763568 0.93 NOS3 (0.32) NOS3NOS1NOS2MAOBMAOA
SCHEMBL9763571 0.93 NOS3 (0.32) NOS3NOS1NOS2MAOBMAOA
SCHEMBL21581487 0.92 MAOB (0.33) NOS3NOS1NOS2MAOBMAOA
SCHEMBL21581491 0.90 MAOB (0.33) NOS3NOS1NOS2MAOBMAOA
SCHEMBL13671376 0.89 HRH1 (0.32)
SCHEMBL17548036 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230029961-A1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-02-02 US disclosed
US-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-11359141-B2 Additives for liquid crystal mixtures MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
US-11326102-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2022-05-10 US disclosed
US-11254872-B2 Liquid crystal media comprising polymerisable compounds MERCK PATENT GMBH (DE) 2022-02-22 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-7303791-B2 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices MERCK PATENT GMBH (DE) 2007-12-04 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20070237907-A1 PHOTOSTABLE LIQUID-CRYSTALLINE MEDIUM MANABE ATSUTAKA 2007-10-11 US disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 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 (2 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-11667841-B2 Dibenzofuran and dibenzothiophene derivatives DDT, MYT1, DBF4 NOS3 4490/4885NOS1 3695/4885NOS2 4259/4885
US-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds NEFM, FES, SBDS NOS3 2773/4885NOS1 2143/4885NOS2 2700/4885

“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.