SCHEMBL9999754

SCHEMBL9999754

COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
S1PR1 P21453 1/20 0.36
TGFBR1 P36897 2/20 0.35
ACVR1 Q04771 2/20 0.35
KCNH2 Q12809 1/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP2C9 P11712 1/20 0.32
APP P05067 1/20 0.32
FASN P49327 1/20 0.32
KDM1A O60341 3/20 0.31
IL2 P60568 1/20 0.31
MAP4K1 Q92918 1/20 0.31
FPR2 P25090 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
SCHEMBL14205128 0.90 ESR2 (0.40) ESR2CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL172438 0.88 ESR2 (0.42) ESR2CYP3A4S1PR1TGFBR1ACVR1
SCHEMBL10014237 0.88 ESR2 (0.42) ESR2CYP17A1CYP11B1CYP11B2S1PR1
SCHEMBL12437068 0.86 ESR2 (0.41) ESR2CYP3A4S1PR1TGFBR1ACVR1
SCHEMBL14310964 0.86 CYP3A4 (0.36) ESR2CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL13235448 0.86 ESR2 (0.37) ESR2CYP3A4CYP2C9FASNKDM1A
SCHEMBL13235443 0.84 CYP2C9 (0.41) ESR2CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL802767 0.82 ESR2 (0.42) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL13235445 0.82 CYP2C9 (0.35) ESR2CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL13235451 0.81 CYP2C9 (0.34) ESR2CYP3A4CYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 US disclosed
US-9944416-B2 Filling device and use thereof for dispensing a fluid MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-20180022997-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-01-25 US disclosed
US-20170335195-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20160325231-A1 PROCESS FOR THE PURIFICATION OF A LIQUID-CRYSTAL MIXTURE MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-20160317948-A1 PURIFICATION DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US disclosed
US-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US disclosed
US-20100176341-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-20080191166-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-14 US disclosed
US-20080090026-A1 Liquid-crystal display MERCK PATENT GMBH 2008-04-17 US disclosed
EP-1873134-A1 CHLOROFLUOROBENZENE LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2008-01-02 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 (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-20080090026-A1 Liquid-crystal display KLK3, LPXN, BPHL ESR2 3823/4885CYP3A4 3896/4885CYP17A1 495/4885
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 ESR2 1516/4885CYP3A4 3782/4885CYP17A1 2778/4885

“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.