SCHEMBL1815168

SCHEMBL1815168

CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(F)cc(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 3/20 0.38
APP P05067 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RY14 Q15391 1/20 0.34
DGAT1 O75907 1/20 0.34
RARB P10826 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ESR2 Q92731 1/20 0.33
RARA P10276 2/20 0.32

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
SCHEMBL1815326 0.93 CYP3A4 (0.35) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL18472153 0.92 CYP2C9 (0.38) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL18560137 0.92 CYP2C9 (0.44) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL1813109 0.92 MAPT (0.37) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL9228589 0.92 MAPT (0.37) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL16117391 0.92 CYP2C9 (0.40) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL18472181 0.91 CYP2C9 (0.38) CYP2C9CYP3A4APPMAPTALDH1A1
SCHEMBL9224215 0.89 CYP2C9 (0.42) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9224220 0.89 CYP2C9 (0.42) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL1815217 0.89 MAPT (0.34) CYP2C9CYP3A4APPMAPTALDH1A1

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 8 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-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 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
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 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 (2 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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 CYP2C9 2077/4885CYP3A4 1338/4885APP 1260/4885
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B CYP2C9 827/4885CYP3A4 1387/4885APP 2345/4885

“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.