SCHEMBL12759239

SCHEMBL12759239

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
TSHR P16473 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
SCHEMBL12759246 0.94 SMN1; SMN2 (0.34) KCNH2HTR2CALDH1A1GLAHRH3
SCHEMBL12759238 0.93 HTR2C (0.31) KCNH2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759229 0.93 HRH3 (0.36) KCNH2HTR2BHTR2AALDH1A1GLA
SCHEMBL12760085 0.93 HRH3 (0.36) KCNH2HTR2BHTR2AALDH1A1GLA
SCHEMBL12760346 0.93 HRH3 (0.36) KCNH2HTR2BHTR2AALDH1A1GLA
SCHEMBL12759236 0.92 ALDH1A1 (0.32) KCNH2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759123 0.92 HTR2C (0.33) KCNH2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759235 0.92 HTR2B (0.33) KCNH2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759219 0.91 KCNH2 (0.35) KCNH2ALDH1A1GLA
SCHEMBL12759249 0.90 SMN1; SMN2 (0.34) KCNH2HTR2CALDH1A1GLAHRH3

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 KCNH2 921/4885HTR2C 657/4885HTR2B 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.