SCHEMBL12759307

SCHEMBL12759307

CCCC1CCC(c2ccc(COc3ccc(OCC)c(F)c3F)cc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.37
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 4/20 0.34
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 3/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
TACR2 P21452 1/20 0.32
PKM P14618 2/20 0.31
NTSR1 P30989 1/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 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
SCHEMBL12760369 0.97 FASN (0.41) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12760096 0.97 FASN (0.41) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12759318 0.94 FASN (0.35) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12759298 0.94 MRGPRX4 (0.36) FASNMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL12759310 0.93 MAPT (0.33) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12759313 0.92 MAPT (0.33) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12760405 0.91 MAPT (0.32) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12759306 0.91 MAPT (0.35) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL12760384 0.88 FASN (0.35) FASNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12759315 0.88 KDM4E (0.34) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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 FASN 3855/4885MAPT 375/4885KDM4E 1946/4885

“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.