SCHEMBL12655846

SCHEMBL12655846

C=CCCC1CCC(c2ccc(-c3ccc(-c4cc(F)c(CF)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
FASN P49327 1/20 0.30
APP P05067 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
SCHEMBL12655808 0.98 CYP3A4 (0.31) CYP3A4CYP2C9
SCHEMBL12656043 0.94
SCHEMBL12656114 0.94
SCHEMBL12655849 0.93 CYP3A4 (0.34) CYP3A4CYP2C9APP
SCHEMBL12626159 0.90
SCHEMBL12656047 0.86 CYP3A4 (0.32) CYP3A4CYP2C9FASNAPP
SCHEMBL13002572 0.85 FASN (0.33) CYP3A4CYP2C9FASN
SCHEMBL13615276 0.85
SCHEMBL12655583 0.84 ESR2 (0.30)
SCHEMBL16488488 0.84 CYP3A4 (0.31) CYP3A4CYP2C9

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 CYP3A4 1387/4885CYP2C9 827/4885ALOX5AP 403/4885

“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.