SCHEMBL4431222

SCHEMBL4431222

Cc1ccc(-c2ccc(C(F)(F)Oc3ccc(F)c(F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
GPR3 P46089 2/20 0.35
PTGS2 P35354 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTPN5 P54829 1/20 0.33
PPARD Q03181 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.33
AR P10275 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPBWR1 P48145 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL13680180 0.91 ALOX5AP (0.39) GPR3PTGS2CYP2C19PTGS1CYP11B1
SCHEMBL17548015 0.89 PPARD (0.34) GPR3HTR2ASLC6A4KCNH2PTPN5
SCHEMBL19019611 0.87 GPR3 (0.33) GPR3HTR2ASLC6A4KCNH2PTPN5
SCHEMBL20886093 0.86 KIF11 (0.44) HTR2ASLC6A4PTPN5TRPA1FFAR1
SCHEMBL17548018 0.86 PTPN5 (0.34) PTGS2HTR2ASLC6A4KCNH2PTPN5
SCHEMBL4432399 0.86 PTPN5 (0.34) PTGS2HTR2ASLC6A4KCNH2PTPN5
SCHEMBL20380579 0.86 GPR3 (0.34) NFE2L2GPR3PTGS2HTR2ASLC6A4
SCHEMBL14185042 0.85 NFE2L2 (0.36) NFE2L2GPR3PTGS2CYP1A2MAPT
SCHEMBL12152581 0.85 ACHE (0.38) HTR2ASLC6A4KCNH2PTPN5PPARD
SCHEMBL10018707 0.85 ACHE (0.38) HTR2ASLC6A4KCNH2PTPN5PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-11760931-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11359141-B2 Additives for liquid crystal mixtures MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
US-11353751-B2 Double layer liquid crystal device and process of manufacture MERCK PATENT GMBH (DE) 2022-06-07 US disclosed
US-11312908-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2022-04-26 US disclosed
US-11254872-B2 Liquid crystal media comprising polymerisable compounds MERCK PATENT GMBH (DE) 2022-02-22 US disclosed
US-20190127642-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-02 US disclosed
US-20180163134-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
US-20180163134-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
WO-2017178419-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-10-19 WO disclosed
WO-2017102051-A1 METHOD FOR MANUFACTURING A LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL MIXTURE MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20150184077-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
US-20150184077-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
WO-2012052104-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-04-26 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-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 NFE2L2 3670/4885GPR3 2259/4885PTGS2 4239/4885

“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.