SCHEMBL12759246

SCHEMBL12759246

CCCCOc1ccc(OCC2CCC(C3CCC(CCC)CC3)CO2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
HTR2C P28335 2/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
HRH3 Q9Y5N1 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12759249 0.96 SMN1; SMN2 (0.34) SMN1; SMN2KCNH2ALDH1A1GLAHTR2C
SCHEMBL12759251 0.94 SMN1; SMN2 (0.33) SMN1; SMN2KCNH2ALDH1A1GLAHTR2C
SCHEMBL12759239 0.94 KCNH2 (0.33) KCNH2ALDH1A1GLAHTR2CTSHR
SCHEMBL12759238 0.92 HTR2C (0.31) SMN1; SMN2KCNH2ALDH1A1GLAHTR2C
SCHEMBL12759130 0.92 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HTR2CPTGESALOX5
SCHEMBL12759245 0.92 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2ALDH1A1GLAHRH3
SCHEMBL12760346 0.92 HRH3 (0.36) KCNH2ALDH1A1GLATSHRHRH3
SCHEMBL12760085 0.92 HRH3 (0.36) KCNH2ALDH1A1GLATSHRHRH3
SCHEMBL12759229 0.92 HRH3 (0.36) KCNH2ALDH1A1GLATSHRHRH3
SCHEMBL12759236 0.91 ALDH1A1 (0.32) SMN1; SMN2KCNH2ALDH1A1GLAHTR2C

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 SMN1; SMN2 4615/4885KCNH2 921/4885ALDH1A1 4178/4885

“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.