SCHEMBL10018705

SCHEMBL10018705

Cc1ccc(-c2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
PTGS2 P35354 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 1/20 0.40
RPS6KA3 P51812 2/20 0.40
HPRT1 P00492 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.36

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
SCHEMBL13614626 1.00 ACHE (0.43) ACHEPTGS2TDP1PTGS1RPS6KA3
SCHEMBL14365638 0.93 ACHE (0.39) ACHEPTGS2TDP1PTGS1RPS6KA3
SCHEMBL25573565 0.88 GRM5 (0.41) ACHEPTGS2PTGS1RPS6KA3CYP11B1
SCHEMBL12977254 0.88 TEAD4 (0.45) ACHETDP1ALDH1A1MEN1KMT2A
SCHEMBL10014228 0.85 ACHE (0.43) ACHEPTGS2TDP1PTGS1RPS6KA3
SCHEMBL8192072 0.85 ACHE (0.43) ACHEPTGS2TDP1PTGS1RPS6KA3
SCHEMBL16258106 0.85 ACHE (0.43) ACHEPTGS2TDP1PTGS1RPS6KA3
SCHEMBL10024800 0.85 PDE3B (0.42) ACHEPTGS2PTGS1RPS6KA3MEN1
SCHEMBL4438303 0.85 PDE3B (0.42) ACHEPTGS2PTGS1RPS6KA3MEN1
SCHEMBL18673225 0.84 HDAC1 (0.42) ACHETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020044833-A1 LIQUID CRYSTAL COMPOSITION DIC株式会社 2020-03-05 WO disclosed
US-9822307-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-9822307-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
WO-2017194665-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 WO disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
EP-2566934-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
US-9487704-B2 Nematic liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-7462297-B2 Chiral dopants having a laterally alkylated phenyl structural element MERCK PATENT GMBH (DE) 2008-12-09 US disclosed
EP-1816180-B1 Mesogenic compounds, liquid crystal medium, and liquid crystal display MERCK PATENT GMBH (DE) 2008-10-29 EP disclosed
EP-1690917-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-10-08 EP disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1690916-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-03-12 EP disclosed
EP-1816180-A1 Mesogenic compounds, liquid crystal medium, and liquid crystal display Merck Patent GmbH (DE) 2007-08-08 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 ACHE 2687/4885PTGS2 1216/4885TDP1 1138/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK ACHE 955/4885PTGS2 2603/4885TDP1 4017/4885

“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.