SCHEMBL1013919

SCHEMBL1013919

CCOc1ccc(OCC2CCC(=O)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HCRTR2 O43614 1/20 0.36
KDM1A O60341 2/20 0.36
BRD4 O60885 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RIPK1 Q13546 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL1500529 0.82 SLC6A4 (0.43) ALDH1A1MAPTPARP15PARP10
SCHEMBL15445798 0.82 RIPK1 (0.41) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL13929892 0.81 HPGD (0.40) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL28549719 0.81 HPGD (0.40) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL12366336 0.81 BRD4 (0.40) PDE4BHCRTR2BRD4ALDH1A1RIPK1
SCHEMBL1243882 0.80 HCRTR2 (0.38) PDE4BPDE4APDE4CPDE4DHCRTR2
SCHEMBL1014683 0.80 HTR2A (0.37) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL2263864 0.80 KDM4C (0.40) RIPK1
SCHEMBL1014307 0.80 HTR2C (0.35) PDE4BKDM1AHTR2AHTR2CHTR2B
SCHEMBL12366402 0.79 RIPK1 (0.42) PDE4BPDE4APDE4CPDE4DKDM1A

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 PDE4B 1918/4885PDE4A 2215/4885PDE4C 2064/4885

“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.