SCHEMBL2148233

SCHEMBL2148233

CCCC1CCC(C2CCC(CCO)(CCO)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL9648927 0.87 TLR4 (0.34) TLR4
SCHEMBL9648917 0.87 TLR4 (0.34) TLR4
SCHEMBL20664421 0.82 TSHR (0.39) TLR4ALDH1A1MAPK1
SCHEMBL9649190 0.80 TLR4 (0.33) TLR4
SCHEMBL9649194 0.80 TLR4 (0.33) TLR4
SCHEMBL6750485 0.78 TLR4 (0.41) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9442488 0.78 TLR4 (0.41) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9650117 0.77 CYP1A2 (0.34) TLR4LMNAMAPK1
SCHEMBL9650124 0.77 CYP1A2 (0.34) TLR4LMNAMAPK1
SCHEMBL13361196 0.77 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 EP disclosed
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 EP disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9255223-B2 Polymerizable compounds and liquid crystal media MERCK PATENT GMBH (DE) 2016-02-09 US disclosed
US-9255223-B2 Polymerizable compounds and liquid crystal media MERCK PATENT GMBH (DE) 2016-02-09 US disclosed
US-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
EP-2931838-A1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2015-10-21 EP disclosed
WO-2014094959-A1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094959-A1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
WO-2011088882-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-07-28 WO disclosed
WO-2011088882-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-07-28 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 (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-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment LASP1, VCL, NEFM TLR4 2799/4885CYP2C9 4189/4885ALDH1A1 4616/4885
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA RCC1, CCNB2, CCNB1 TLR4 4114/4885CYP2C9 2076/4885ALDH1A1 2799/4885

“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.