SCHEMBL12433840

SCHEMBL12433840

CCCc1ccc(-c2ccc(CCc3ccc(CCc4c(C)cc(OCC)c(F)c4C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
SYK P43405 1/20 0.35
ESR1 P03372 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARD Q03181 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MCL1 Q07820 1/20 0.33
PPARA Q07869 3/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL12433633 0.96 ESR1 (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL13980134 0.89 RXRA (0.35) RXRARXRBRXRGSYKESR1
SCHEMBL12433647 0.88 FAAH (0.39) ESR1S1PR1S1PR3S1PR5PTGS1
SCHEMBL12433563 0.87 GABRA1 (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL14035180 0.85 HMGCR (0.35) GABRA1GABRB2PPARDFFAR4PPARA
SCHEMBL12433601 0.83 LMNA (0.36) GABRA1GABRB2ESR1FFAR4PTGS1
SCHEMBL12433675 0.83 S1PR1 (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL12433752 0.82 RXRA (0.35) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL12433836 0.81 RXRA (0.32) RXRARXRBRXRGPPARDFFAR4
SCHEMBL12433757 0.81 MAPT (0.36) RXRARXRBRXRGS1PR1PPARD

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 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.