SCHEMBL17044602

SCHEMBL17044602

CCCCCCCCCCCCCCCCc1cc(-c2ccc(OC)cc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SPHK2 Q9NRA0 1/20 0.47
ALOX5 P09917 3/20 0.47
PTGS2 P35354 3/20 0.47
MGLL Q99685 5/20 0.46

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
SCHEMBL10767997 0.87 ADRA1A (0.62) HTR2AADRA1ATAAR1ALOX5PTGS2
SCHEMBL10601156 0.87 ADRA1A (0.62) HTR2AADRA1ATAAR1ALOX5PTGS2
SCHEMBL5133668 0.87 ADRA1A (0.62) HTR2AADRA1ATAAR1ALOX5PTGS2
SCHEMBL9889155 0.85 ADRA1A (0.64) HTR2AADRA1ATAAR1ALOX5PTGS2
SCHEMBL19854382 0.85 MGLL (0.46) ALOX5PTGS2MGLL
SCHEMBL15242318 0.82 CCNB2 (0.48) MGLL
SCHEMBL1081732 0.80 ADRA1A (0.66) HTR2AADRA1ATAAR1
SCHEMBL1190110 0.80 HTR2A (0.44) HTR2ASPHK2ALOX5PTGS2
SCHEMBL23635375 0.79 ESR2 (0.50) ALOX5PTGS2MGLL
SCHEMBL13940053 0.79 HTR2A (0.43) HTR2AADRA1ATAAR1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903423-B Monomer, liquid-crystal composition, the manufacture method of liquid crystal display device and liquid crystal display device 夏普株式会社 2018-04-20 CN disclosed
US-9719018-B2 Monomer, liquid crystal composition, liquid crystal display device, and production method for liquid crystal display device SHARP KABUSHIKI KAISHA (JP) 2017-08-01 US disclosed
US-9719018-B2 Monomer, liquid crystal composition, liquid crystal display device, and production method for liquid crystal display device SHARP KABUSHIKI KAISHA (JP) 2017-08-01 US disclosed
CN-104903423-A Monomer, liquid crystal composition, liquid crystal display device, and production method for liquid crystal display device SHARP KK 2015-09-09 CN disclosed
US-20150247090-A1 MONOMER, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND PRODUCTION METHOD FOR LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2015-09-03 US disclosed
US-20150247090-A1 MONOMER, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND PRODUCTION METHOD FOR LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2015-09-03 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-20150247090-A1 MONOMER, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND PRODUCTION METHOD FOR LIQUID CRYSTAL DISPLAY DEVICE NLRP1, PYCARD, NLRP3 HTR2A 1019/4885ADRA1A 4005/4885TAAR1 558/4885

“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.