SCHEMBL1815326

SCHEMBL1815326

CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(F)cc(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
FASN P49327 1/20 0.35
APP P05067 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RARB P10826 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALOX5AP P20292 1/20 0.31

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
SCHEMBL9228589 0.96 MAPT (0.37) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL1813109 0.96 MAPT (0.37) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL1815217 0.93 MAPT (0.34) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL1815168 0.93 CYP2C9 (0.38) CYP3A4CYP2C9MAPTGAAAPP
SCHEMBL16186360 0.89 MAPT (0.37) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL8997295 0.89 CYP3A4 (0.40) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL8997301 0.89 CYP3A4 (0.40) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL8831427 0.89 CYP3A4 (0.44) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL7759051 0.89 CYP3A4 (0.44) CYP3A4CYP2C9MAPTGAAFASN
SCHEMBL4799678 0.89 CYP3A4 (0.44) CYP3A4CYP2C9MAPTGAAFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116522-B1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2013-09-18 EP disclosed
EP-2116522-B1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2013-09-18 EP disclosed
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-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
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
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP 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 827/4885MAPT 864/4885

“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.