SCHEMBL12759226

SCHEMBL12759226

CCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CO2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD4 P21917 6/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KCNH2 Q12809 1/20 0.31
KDM1A O60341 2/20 0.31
HTR2C P28335 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
SCHEMBL22277703 1.00 HRH3 (0.37) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12759213 0.93 KCNH2 (0.34) HRH3SLC6A2SLC6A4SLC6A3DRD4
SCHEMBL12759235 0.92 HTR2B (0.33) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12759245 0.91 SMN1; SMN2 (0.35) HRH3ALDH1A1GLAKCNH2
SCHEMBL12759229 0.90 HRH3 (0.36) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12760346 0.90 HRH3 (0.36) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12760085 0.90 HRH3 (0.36) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12759118 0.90 HTR2C (0.35) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12759227 0.88 HRH3 (0.35) HRH3HTR2AHTR2BADRB2HTR1A
SCHEMBL12759230 0.87 HRH3 (0.34) HRH3HTR2AHTR2BADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 1228/4885HTR2A 1041/4885HTR2B 2435/4885

“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.