SCHEMBL12433660

SCHEMBL12433660

CCCC1CCC(COc2cc(F)c(-c3ccc(OCC)c(F)c3F)cc2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
RET P07949 2/20 0.35
KCNH2 Q12809 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
BRD4 O60885 2/20 0.33
SSTR5 P35346 1/20 0.33
KDM1A O60341 2/20 0.33
PDE2A O00408 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ESR1 P03372 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
S1PR1 P21453 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL1311479 0.88 RIPK1 (0.38) PDE10AKCNH2PTGDR2BRD4SSTR5
SCHEMBL12433697 0.84 NAAA (0.35) BRD4KDM1AESR1
SCHEMBL12433760 0.84 BRD4 (0.32) PDE10ABRD4HTR2AHTR2CHTR2B
SCHEMBL12366402 0.83 RIPK1 (0.42) KCNH2BRD4SSTR5KDM1AHTR2A
SCHEMBL15445797 0.83 RIPK1 (0.42) KCNH2BRD4SSTR5KDM1AHTR2A
SCHEMBL28700888 0.83 RIPK1 (0.42) KCNH2BRD4SSTR5KDM1AHTR2A
SCHEMBL12113787 0.82 FFAR4 (0.41) BRD4KDM1A
SCHEMBL12433778 0.82 NAAA (0.34) BRD4KDM1A
SCHEMBL28755446 0.81 RIPK1 (0.37) PDE10AKCNH2PTGDR2BRD4SSTR5
SCHEMBL9925174 0.81 HTR2A (0.34) PDE10AKCNH2PTGDR2BRD4SSTR5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
EP-1997867-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2008-12-03 EP disclosed
EP-1655360-B1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2008-11-12 EP 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 PDE10A 1069/4885RET 2700/4885KCNH2 1536/4885

“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.