SCHEMBL2827602

SCHEMBL2827602

CCCCCc1ccc(OC(=O)C2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.53
THRA P10827 3/20 0.53
F2 P00734 1/20 0.51
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL9301954 1.00 THRB (0.53) THRBTHRAF2HTTKMT2A
SCHEMBL9301959 1.00 THRB (0.53) THRBTHRAF2HTTKMT2A
SCHEMBL11410595 0.99 THRB (0.55) THRBTHRAF2HTTKMT2A
SCHEMBL11412254 0.99 THRB (0.55) THRBTHRAF2HTTKMT2A
SCHEMBL11422546 0.96 F2 (0.52) THRBTHRAF2HTTKMT2A
SCHEMBL7941973 0.96 THRB (0.56) THRBTHRAF2HTTKMT2A
SCHEMBL2829784 0.96 THRB (0.56) THRBTHRAF2HTTKMT2A
SCHEMBL11412043 0.95 F2 (0.51) THRBTHRAF2HTTKMT2A
SCHEMBL9302511 0.95 F2 (0.51) THRBTHRAF2HTTKMT2A
SCHEMBL9189717 0.95 F2 (0.51) THRBTHRAF2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 US disclosed
EP-1896552-B1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON CHEMIE AG (LI) 2010-05-19 EP disclosed
EP-1896552-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES Tetragon-Chemie AG (LI) 2008-03-12 EP disclosed
US-7335404-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-26 US disclosed
US-20070080325-A1 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
WO-2006136345-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2006-12-28 WO disclosed
US-5318721-A Nematic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-07 US disclosed
US-5286410-A Positive dielectric anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-02-15 US disclosed
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed
US-5178790-A With excellent steepness of characteristics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-12 US disclosed
US-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I THRB 1252/4885THRA 938/4885F2 83/4885

“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.