SCHEMBL1813561

SCHEMBL1813561

CCCCCC1CCC(c2ccc(-c3cc(F)c(I)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
FASN P49327 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
APP P05067 2/20 0.32
RARB P10826 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ESR2 Q92731 1/20 0.31
S1PR1 P21453 1/20 0.31
SGPL1 O95470 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
SCHEMBL16186360 0.90 MAPT (0.37) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL19844718 0.89 MAPT (0.36) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL1813183 0.88 CYP3A4 (0.35) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL1813109 0.88 MAPT (0.37) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL9228589 0.88 MAPT (0.37) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL8831427 0.88 CYP3A4 (0.44) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL4799680 0.88 CYP3A4 (0.44) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL7759051 0.88 CYP3A4 (0.44) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL4799678 0.88 CYP3A4 (0.44) MAPTGAACYP2C9CYP3A4MEN1
SCHEMBL11117883 0.87 CYP2C9 (0.40) MAPTGAACYP2C9CYP3A4MEN1

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.