SCHEMBL12433588

SCHEMBL12433588

CCCCOc1cc(C)c(CCC2CCC(CCC)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
ESR1 P03372 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
SCN9A Q15858 2/20 0.31
RARB P10826 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL12433709 0.96 CNR2 (0.31) CNR2CNR1ESR1PTGESALOX5
SCHEMBL12433596 0.94 CNR2 (0.34) CNR2CNR1ESR1PTGESALOX5
SCHEMBL12433577 0.94 PPARG (0.32) SCN9A
SCHEMBL2208480 0.91 LMNA (0.32) ESR1
SCHEMBL12433718 0.90 CNR2 (0.32) CNR2CNR1ESR1ACE2
SCHEMBL12433622 0.88 PTGES (0.31) PTGESALOX5ACE2
SCHEMBL12433803 0.87 LMNA (0.30)
SCHEMBL2207937 0.87 LMNA (0.30)
SCHEMBL2210948 0.87 ACE2 (0.33) ACE2
SCHEMBL12433813 0.86 LMNA (0.30)

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 3 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-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

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 CNR2 647/4885CNR1 235/4885ESR1 1576/4885

“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.