SCHEMBL12623919

SCHEMBL12623919

CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5ccc(OCF)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 2/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PPARD Q03181 2/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL12624919 0.97 RARB (0.39) RARBS1PR1S1PR3RARARARG
SCHEMBL19829136 0.92 S1PR1 (0.41) RARBS1PR1S1PR3RARARARG
SCHEMBL12623928 0.91 RARB (0.40) RARBS1PR1S1PR3RARARARG
SCHEMBL12624931 0.91 RARB (0.40) RARBS1PR1S1PR3RARARARG
SCHEMBL12624788 0.90 RARB (0.41) RARBS1PR1S1PR3RARARARG
SCHEMBL12623763 0.90 RARB (0.41) RARBS1PR1S1PR3RARARARG
SCHEMBL12625676 0.90 RARB (0.39) RARBS1PR1S1PR3RARARARG
SCHEMBL12623765 0.90 RARB (0.43) RARBS1PR1S1PR3RARARARG
SCHEMBL12624789 0.90 RARB (0.43) RARBS1PR1S1PR3RARARARG
SCHEMBL19829200 0.89 S1PR1 (0.37) RARBS1PR1S1PR3RARARARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B RARB 2364/4885S1PR1 3786/4885S1PR3 3130/4885

“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.