SCHEMBL12433710

SCHEMBL12433710

CCCc1ccc(-c2ccc(OC(F)(F)CCc3c(C)cc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
PPARD Q03181 3/20 0.31
PPARA Q07869 1/20 0.31
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
CALM1 P0DP23 1/20 0.30
SLC13A5 Q86YT5 1/20 0.30
S1PR1 P21453 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
SCHEMBL12433620 0.97 CALM1 (0.32) HCRTR1HCRTR2CALM1
SCHEMBL12433731 0.90 RXRA (0.30) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL12433767 0.87 RXRA (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL12433757 0.85 MAPT (0.36) RXRARXRBRXRGPPARDPPARA
SCHEMBL14035223 0.84 RXRA (0.36) RXRARXRBRXRGPPARDPPARA
SCHEMBL12433563 0.84 GABRA1 (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL13980226 0.81 GRM2 (0.30)
SCHEMBL14362941 0.81 GABRA1 (0.36) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL12433601 0.80 LMNA (0.36) GABRA1GABRB2CALM1
SCHEMBL14362959 0.79 GABRA1 (0.36) RXRARXRBRXRGGABRA1GABRB2

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 6 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

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.