SCHEMBL1011591

SCHEMBL1011591

CCCCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 3/20 0.32
HTR2B P41595 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD4 P21917 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12759119 0.97 HTR2A (0.33) EPHX1HTR2AHTR2BHRH3HTR2C
SCHEMBL12759132 0.94 EPHX1 (0.34) EPHX1ALDH1A1HTR2AHTR2BHTR2C
SCHEMBL12759125 0.94 EPHX1 (0.33) EPHX1ALDH1A1HTR2AHTR2BHTR2C
SCHEMBL12759113 0.94 SLC6A2 (0.36) EPHX1ALDH1A1HTR2AHTR2BHTR2C
SCHEMBL12760074 0.93 HTR2A (0.34) ALDH1A1HTR2AHTR2BHRH3HTR2C
SCHEMBL12760234 0.93 HTR2A (0.34) ALDH1A1HTR2AHTR2BHRH3HTR2C
SCHEMBL1013572 0.93 HTR2A (0.34) ALDH1A1HTR2AHTR2BHRH3HTR2C
SCHEMBL1017317 0.93 HRH3 (0.37) EPHX1ALDH1A1HTR2AHTR2BHRH3
SCHEMBL12759131 0.91 SMN1; SMN2 (0.34) ALDH1A1HTR2AHTR2BHTR2CTDP1
SCHEMBL12759230 0.91 HRH3 (0.34) ALDH1A1HTR2AHTR2BHRH3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883938-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DAINIPPON INK & CHEMICALS (JP) 2017-10-25 EP disclosed
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
US-20160060524-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2016-03-03 US disclosed
EP-2883938-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY DIC Corporation (JP) 2015-06-17 EP disclosed
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 EPHX1 3191/4885ALDH1A1 4178/4885HTR2A 1041/4885

“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.