SCHEMBL12433676

SCHEMBL12433676

CCCCCc1ccc(CCc2c(C)cc(-c3ccc(CCCCC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.47
HSD11B1 P28845 1/20 0.44
FAAH O00519 1/20 0.42
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
TNNC1 P63316 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40

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
SCHEMBL13980088 0.96 RARB (0.44) RARBHSD11B1FAAHRARARARG
SCHEMBL12984269 0.88 RARB (0.44) RARBHSD11B1FAAHRARARARG
SCHEMBL12433847 0.80 RARB (0.42) RARBHSD11B1FAAHRARARARG
SCHEMBL12433634 0.79 FAAH (0.42) RARBFAAHTNNC1ALDH1A1SGPL1
SCHEMBL12433685 0.77 RARB (0.45) RARBHSD11B1RARARARGALDH1A1
SCHEMBL12433647 0.75 FAAH (0.39) RARBFAAHRARARARGTNNC1
SCHEMBL12433702 0.73 RARB (0.44) RARBHSD11B1RARARARGALDH1A1
SCHEMBL14961186 0.73 RARB (0.57) RARBHSD11B1FAAHRARARARG
SCHEMBL8990601 0.70 MAOB (0.56) RARBHSD11B1FAAHRARARARG
SCHEMBL7078235 0.70 PTGS2 (0.60) RARBRARAALDH1A1MEN1MAPT

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
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
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 RARB 1782/4885HSD11B1 151/4885FAAH 740/4885

“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.