SCHEMBL12759146

SCHEMBL12759146

CCCCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)OC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.32
HTR2B P41595 3/20 0.32
HTR2C P28335 3/20 0.32
PTGFR P43088 2/20 0.31
PTGER3 P43115 2/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL12759145 0.97 HTR2C (0.33) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL12759181 0.96 HTR2A (0.31) HTR2AHTR2BHTR2CADRB2HTR1A
SCHEMBL12759160 0.94 HTR2A (0.32) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL22277315 0.94 ADRB2 (0.31) HTR2AHTR2BADRB2HTR1ASLC6A2
SCHEMBL12759153 0.94 HTR2C (0.31) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL12759139 0.94 PDE4B (0.33) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL12759182 0.92 HTR2A (0.32) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL12759144 0.92 HTR2C (0.34) HTR2AHTR2BHTR2CADRB2HTR1A
SCHEMBL12759159 0.91 HTR2A (0.32) HTR2AHTR2BHTR2CPTGFRPTGER3
SCHEMBL12760335 0.91 HTR2C (0.33) HTR2AHTR2BHTR2CADRB2HTR1A

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
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
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

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.