SCHEMBL12655823

SCHEMBL12655823

C=CCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(CF)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
RARB P10826 3/20 0.32
MAOB P27338 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KIF11 P52732 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
SCHEMBL12655824 0.99 TAAR1 (0.34) TAAR1RARBMAOBRARARARG
SCHEMBL12655825 0.94 TAAR1 (0.31) TAAR1RARB
SCHEMBL18540027 0.87 TAAR1 (0.39) TAAR1RARBMAOBRARARARG
SCHEMBL12655821 0.86 TAAR1 (0.33) TAAR1RARBMAOBRARARARG
SCHEMBL13239275 0.86 TAAR1 (0.36) TAAR1RARBMAOBRARARARG
SCHEMBL13412036 0.86 TAAR1 (0.36) TAAR1RARBMAOBRARARARG
SCHEMBL13412038 0.83 MAOB (0.35) TAAR1RARBMAOBRARARARG
SCHEMBL18310519 0.83 TAAR1 (0.31) TAAR1RARB
SCHEMBL13002304 0.82 KIF11 (0.39) TAAR1RARBMAOBRARARARG
SCHEMBL20219122 0.82 TAAR1 (0.42) TAAR1RARBMAOBRARARARG

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 TAAR1 3234/4885RARB 2364/4885MAOB 4231/4885

“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.