SCHEMBL4823612

SCHEMBL4823612

CCCCCCCCCc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.59
TYR P14679 3/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX5 P09917 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LPL P06858 6/20 0.46
TRPV1 Q8NER1 1/20 0.46
MGLL Q99685 1/20 0.46
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38

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
SCHEMBL7876139 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL7876152 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL29957652 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL6291363 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL8746456 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL29952781 1.00 LIPG (0.59) LIPGTYRTP53CYP3A4MEN1
SCHEMBL5892520 0.98 LIPG (0.56) LIPGTYRTP53CYP3A4MEN1
SCHEMBL29951685 0.98 LIPG (0.56) LIPGTYRTP53CYP3A4MEN1
SCHEMBL3140999 0.93 LIPG (0.49) LIPGTYRTP53CYP3A4MEN1
SCHEMBL7208785 0.92 LIPG (0.51) LIPGTYRTP53CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462427-B2 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2008-12-09 US disclosed
US-7351452-B2 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2008-04-01 US disclosed
US-20050001200-A1 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2005-01-06 US disclosed
US-20040206933-A1 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2004-10-21 US disclosed
WO-2003040812-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MIXTURES CONTAINING THEM AND LIQUID CRYSTAL DEVICES QINETIQ LIMITED (GB) 2003-05-15 WO disclosed
WO-2003040074-A1 LIQUID CRYSTALLINE COMPOUNDS CONTAINING A BIPHENYL CORE QINETIQ LIMITED (GB) 2003-05-15 WO disclosed
WO-2003024903-A1 LIQUID CRYSTAL COMPOUNDS WITH BRANCHED OR CYCLIC END GROUPS QINETIQ LIMITED (GB) 2003-03-27 WO disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed
US-5683623-A FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1997-11-04 US disclosed
EP-0662114-B1 DIOXANE DERIVATIVES CENTRAL RESEARCH LAB LTD (GB) 1997-02-19 EP disclosed
EP-0662114-A1 DIOXANE DERIVATIVES. CENTRAL RESEARCH LAB LTD (GB) 1995-07-12 EP disclosed
WO-1994006885-A1 DIOXANE DERIVATIVES CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1994-03-31 WO 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-20050001200-A1 Liquid crystalline compounds containing a biphenyl core YBX1, AFF1, AFF2 LIPG 4089/4885TYR 2166/4885TP53 1984/4885

“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.