SCHEMBL2892148

SCHEMBL2892148

CCCC1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRD1 P41143 2/20 0.40
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
CCR1 P32246 1/20 0.36
HPGD P15428 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3480757 0.91 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL11364231 0.88 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL11458352 0.85 OPRL1 (0.46) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL11466971 0.85 OPRL1 (0.46) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL11458351 0.85 OPRL1 (0.46) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL17072238 0.85 OPRL1 (0.48) OPRM1OPRL1OPRK1OPRD1
SCHEMBL11475337 0.84 OPRL1 (0.49) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL11457551 0.84 OPRL1 (0.49) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL11457550 0.84 OPRL1 (0.49) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL10893278 0.83 OPRL1 (0.44) OPRM1OPRL1OPRK1OPRD1ALDH1A1

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 19 patents. 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
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
EP-3994234-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2022-05-11 EP disclosed
CN-114144498-A Liquid crystal medium, liquid crystal display containing same and compound 默克专利股份有限公司 2022-03-04 CN disclosed
WO-2021004868-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2021-01-14 WO disclosed
CN-110997871-A Liquid crystal compounds 默克专利股份有限公司 2020-04-10 CN disclosed
WO-2019034588-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2019-02-21 WO disclosed
WO-2019034588-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2019-02-21 WO disclosed
EP-1897928-B1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2010-10-27 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-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

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 OPRM1 1117/4885OPRL1 2583/4885OPRK1 1031/4885

“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.