SCHEMBL12433760

SCHEMBL12433760

CCCC1CCC(COc2ccc(-c3cc(C)c(CCC4CCC(CC)CC4)cc3F)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.32
PDE10A Q9Y233 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
RIPK1 Q13546 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL12433697 0.91 NAAA (0.35) BRD4
SCHEMBL12433778 0.88 NAAA (0.34) BRD4
SCHEMBL12433660 0.84 PDE10A (0.36) BRD4PDE10AHTR2AHTR2CHTR2B
SCHEMBL1311479 0.79 RIPK1 (0.38) BRD4PDE10AHTR2AHTR2CHTR2B
SCHEMBL9632524 0.79 RIPK1 (0.36) HTR2AHTR2CHTR2BRIPK1
SCHEMBL9632520 0.79 RIPK1 (0.36) HTR2AHTR2CHTR2BRIPK1
SCHEMBL17487559 0.78 BRD4 (0.40) BRD4HTR2AHTR2CHTR2BRIPK1
SCHEMBL12433700 0.76 KDM1A (0.32) BRD4
SCHEMBL17487889 0.76 BRD4 (0.38) BRD4HTR2AHTR2CHTR2BRIPK1
SCHEMBL12113787 0.76 FFAR4 (0.41) BRD4TLR9TLR8TLR7ALOX5AP

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 7 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

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 BRD4 11/4885PDE10A 1069/4885HTR2A 2056/4885

“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.