SCHEMBL12433767

SCHEMBL12433767

CCCc1ccc(-c2ccc(OC(F)(F)CCc3c(C)cc(OCC)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
PPARD Q03181 9/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
PPARA Q07869 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
PPARG P37231 1/20 0.32
SYK P43405 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12433710 0.87 RXRA (0.33) RXRARXRBRXRGPPARDGABRA1
SCHEMBL12433757 0.85 MAPT (0.36) RXRARXRBRXRGPPARDPPARA
SCHEMBL14035223 0.84 RXRA (0.36) RXRARXRBRXRGPPARDPPARA
SCHEMBL12433620 0.84 CALM1 (0.32)
SCHEMBL12433731 0.82 RXRA (0.30) RXRARXRBRXRG
SCHEMBL12511079 0.80 LTB4R2 (0.31) LTB4R2
SCHEMBL12433636 0.79 PPARA (0.33) RXRARXRBRXRGPPARDGABRA1
SCHEMBL12433840 0.78 RXRA (0.40) RXRARXRBRXRGPPARDGABRA1
SCHEMBL13026090 0.78 RXRA (0.35) RXRARXRBRXRGPPARDGABRA1
SCHEMBL12433762 0.77 CYP2C9 (0.31) MEN1KMT2A

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 RXRA 478/4885RXRB 441/4885RXRG 662/4885

“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.