SCHEMBL1013733

SCHEMBL1013733

CCOc1ccc(OCC2CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GPR119 Q8TDV5 2/20 0.37
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
HTR2C P28335 2/20 0.35
SCN9A Q15858 4/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 2/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL12366333 0.83 ALDH1A1 (0.38) ALDH1A1GPR119HTR2AHTR2BHTR2C
SCHEMBL12366390 0.82 SLC6A2 (0.36) GPR119HTR2AHTR2BHTR2CHTR1A
SCHEMBL1243985 0.82 PDE10A (0.38) ALDH1A1GPR119LMNATSHRMEN1
SCHEMBL5527733 0.79 KDM4E (0.42) HTR2AHTR2BHTR2C
SCHEMBL2509026 0.78 PDE10A (0.38) ALDH1A1LMNATSHRMEN1HTT
SCHEMBL4861841 0.78 ALDH1A1 (0.35) ALDH1A1LMNATSHRMEN1HTT
SCHEMBL1500529 0.77 SLC6A4 (0.43) ALDH1A1SLC6A4LMNATSHRHTT
SCHEMBL15445798 0.77 RIPK1 (0.41) HTR2AHTR2BHTR2CKDM1A
SCHEMBL2211908 0.77 ALDH1A1 (0.37) ALDH1A1GPR119LMNATSHRMEN1
SCHEMBL22269641 0.77 FFAR4 (0.40) ALDH1A1GPR119

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 4 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
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

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 ALDH1A1 4178/4885GPR119 4406/4885HTR2A 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.