SCHEMBL12623482

SCHEMBL12623482

CCCCCc1ccc(C(F)(F)OC2CCC(C3CCC(c4ccc(-c5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)CC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
RARB P10826 3/20 0.34
SPHK2 Q9NRA0 7/20 0.33
RARA P10276 1/20 0.30
RARG P13631 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
SCHEMBL12623232 0.92 SPHK1 (0.39) SPHK1RARBSPHK2RARARARG
SCHEMBL12623471 0.91 SPHK1 (0.38) SPHK1RARBSPHK2RARARARG
SCHEMBL12623491 0.91 SPHK1 (0.35) SPHK1RARBSPHK2
SCHEMBL12624643 0.91 SPHK1 (0.36) SPHK1RARBSPHK2RARARARG
SCHEMBL12623498 0.90 SPHK1 (0.37) SPHK1RARBSPHK2RARARARG
SCHEMBL12623480 0.89 RARB (0.38) SPHK1RARBSPHK2RARARARG
SCHEMBL12624570 0.88 RARB (0.36) SPHK1RARBSPHK2RARARARG
SCHEMBL12623488 0.88 SPHK1 (0.35) SPHK1RARBSPHK2
SCHEMBL12623220 0.87 RARB (0.37) SPHK1RARBSPHK2RARARARG
SCHEMBL12623335 0.87 RARB (0.37) SPHK1RARBSPHK2RARARARG

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 SPHK1 3567/4885RARB 2364/4885SPHK2 3141/4885

“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.