SCHEMBL1013572

SCHEMBL1013572

CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CO1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
HTR2B P41595 3/20 0.34
HTR2C P28335 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD4 P21917 1/20 0.33
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
KDM1A O60341 2/20 0.30
EGFR P00533 2/20 0.30
BRD4 O60885 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
SCHEMBL12760074 1.00 HTR2A (0.34) HTR2AHTR2BHTR2CHRH3ADRB2
SCHEMBL12760234 1.00 HTR2A (0.34) HTR2AHTR2BHTR2CHRH3ADRB2
SCHEMBL12759119 0.94 HTR2A (0.33) HTR2AHTR2BHTR2CHRH3ADRB2
SCHEMBL1011591 0.93 EPHX1 (0.35) HTR2AHTR2BHTR2CHRH3ADRB2
SCHEMBL12759123 0.93 HTR2C (0.33) HTR2AHTR2BHTR2CRIPK1ALDH1A1
SCHEMBL12759112 0.93 PDE4B (0.35) HTR2AHTR2BHTR2CSLC6A2SLC6A4
SCHEMBL12759130 0.92 SMN1; SMN2 (0.35) HTR2AHTR2BHTR2CALDH1A1
SCHEMBL12760346 0.92 HRH3 (0.36) HTR2AHTR2BHRH3ADRB2HTR1A
SCHEMBL12759229 0.92 HRH3 (0.36) HTR2AHTR2BHRH3ADRB2HTR1A
SCHEMBL12760085 0.92 HRH3 (0.36) HTR2AHTR2BHRH3ADRB2HTR1A

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 19 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-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
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-8211332-B2 Liquid Crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-07-03 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
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-20100181532-A1 Liquid Crystal Composition and Liquid Crystal Display Device CHISSO CORPORATION (JP) 2010-07-22 US disclosed
US-20100181532-A1 Liquid Crystal Composition and Liquid Crystal Display Device CHISSO CORPORATION (JP) 2010-07-22 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
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 HTR2A 1041/4885HTR2B 2435/4885HTR2C 657/4885

“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.