SCHEMBL12759235

SCHEMBL12759235

CCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CO2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL12759245 0.94 SMN1; SMN2 (0.35) ALDH1A1GLAKCNH2HRH3
SCHEMBL12759239 0.92 KCNH2 (0.33) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL22277703 0.92 HRH3 (0.37) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759226 0.92 HRH3 (0.37) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759122 0.91 HTR2C (0.33) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759238 0.90 HTR2C (0.31) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759213 0.89 KCNH2 (0.34) ALDH1A1GLAKCNH2HRH3SLC6A2
SCHEMBL12759236 0.89 ALDH1A1 (0.32) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759123 0.88 HTR2C (0.33) HTR2BHTR2CHTR2AALDH1A1GLA
SCHEMBL12759249 0.86 SMN1; SMN2 (0.34) HTR2CALDH1A1GLAKCNH2HRH3

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 HTR2B 2435/4885HTR2C 657/4885HTR2A 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.