SCHEMBL1815217

SCHEMBL1815217

CCCCCC1CCC(c2ccc(-c3cc(F)c(-c4cc(F)cc(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.32
FASN P49327 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 4/20 0.32
POLB P06746 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
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
SCHEMBL9228589 0.94 MAPT (0.37) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL1813109 0.94 MAPT (0.37) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL1815326 0.93 CYP3A4 (0.35) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL1815168 0.89 CYP2C9 (0.38) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL1819360 0.88 CYP2C9 (0.33) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL16186360 0.87 MAPT (0.37) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL19844718 0.86 MAPT (0.36) MAPTGAACYP2C9MEN1KMT2A
SCHEMBL2887411 0.86 CYP2C9 (0.44) MAPTCYP2C9MEN1KMT2ACYP3A4
SCHEMBL2885037 0.86 CYP2C9 (0.44) MAPTCYP2C9MEN1KMT2ACYP3A4
SCHEMBL17083191 0.86 CYP2C9 (0.44) MAPTCYP2C9MEN1KMT2ACYP3A4

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 6 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
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 MAPT 864/4885GAA 4613/4885CYP2C9 827/4885

“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.