SCHEMBL12433692

SCHEMBL12433692

CCCCc1ccc(OC(F)(F)c2c(C)cc(OCC)c(F)c2C(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.32
HCRTR2 O43614 9/20 0.32
CETP P11597 1/20 0.32
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
SKP2 Q13309 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12433730 0.91 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL12433607 0.86 MAPT (0.38) PPARGMAPTRAB9AL3MBTL1
SCHEMBL12433821 0.84 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL12433638 0.83 MAPT (0.36) PPARGMAPTRAB9AL3MBTL1
SCHEMBL12433708 0.83 MAPT (0.40) MAPTRAB9AL3MBTL1
SCHEMBL12433614 0.82 HCRTR1 (0.33) HCRTR1HCRTR2PPARG
SCHEMBL13713442 0.82 CETP (0.31) CETP
SCHEMBL13025666 0.79 HCRTR1 (0.36) HCRTR1HCRTR2ALOX5PPARGMAPT
SCHEMBL12433726 0.79 CYP2C9 (0.34) HCRTR1HCRTR2MAPT
SCHEMBL12433752 0.77 RXRA (0.35) HCRTR1HCRTR2PPARG

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 5 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

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 HCRTR1 1873/4885HCRTR2 2729/4885CETP 4137/4885

“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.