SCHEMBL2890308

SCHEMBL2890308

CCCC1CC=C(c2ccc(Br)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
HTR2C P28335 2/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.32
SLC6A4 P31645 1/20 0.32
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31

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
SCHEMBL11441811 0.98 ESR2 (0.47) ESR2HTR2CNPC1CASP3RAB9A
SCHEMBL28008442 0.95 ESR2 (0.45) ESR2HTR2CNPC1CASP3RAB9A
SCHEMBL11190434 0.93 ESR2 (0.54) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL11195824 0.91 ESR2 (0.53) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL11196416 0.91 ESR2 (0.44) ESR2HTR2CNPC1CASP3RAB9A
SCHEMBL11362512 0.88 ESR2 (0.50) ESR2HTR2CNPC1CASP3RAB9A
SCHEMBL11195873 0.88 ESR2 (0.50) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL11141822 0.87 ESR2 (0.41) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL11193083 0.87 ESR2 (0.49) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL11192882 0.87 ESR2 (0.49) ESR2NPC1CASP3RAB9ASENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119120038-A Liquid crystal medium, liquid crystal display device containing same and compound 默克专利股份有限公司 2024-12-13 CN disclosed
CN-114144498-B Liquid crystal medium, liquid crystal display device containing same and compound 默克专利股份有限公司 2024-09-10 CN disclosed
CN-110997871-B Liquid crystal compound 默克专利股份有限公司 2024-04-30 CN disclosed
CN-111094512-B Liquid crystal medium and liquid crystal display comprising same 默克专利股份有限公司 2024-01-09 CN disclosed
EP-3679111-B1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-11-01 EP disclosed
EP-3679111-B1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-11-01 EP disclosed
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-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-20220228065-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2022-07-21 US disclosed
EP-3994234-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2022-05-11 EP disclosed
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 US disclosed
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 US disclosed
EP-1897928-A1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2008-03-12 EP disclosed
EP-0767772-B1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS SECR DEFENCE (GB) 2000-08-30 EP disclosed
US-5853613-A Chiral cyclohexyl compounds SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1998-12-29 US disclosed
EP-0767772-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-04-16 EP disclosed
WO-1996000710-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-01-11 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-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CNKSR1, CLCN2, LEF1 ESR2 528/4885HTR2C 716/4885NPC1 3055/4885

“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.