SCHEMBL14767332

SCHEMBL14767332

CCCCCCc1ccc(C(=O)O[C@H]2COC3[C@H](OC(=O)c4ccc(CCCCCC)cc4)CO[C@@H]32)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.75
THRA P10827 6/20 0.60
THRB P10828 6/20 0.60
RARB P10826 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL14749470 1.00 BCHE (0.75) BCHETHRATHRBRARBMEN1
SCHEMBL18133142 1.00 BCHE (0.75) BCHETHRATHRBRARBMEN1
SCHEMBL12902930 0.95 BCHE (0.70) BCHETHRATHRBRARBMEN1
SCHEMBL19556702 0.95 BCHE (0.70) BCHETHRATHRBRARBMEN1
SCHEMBL12902931 0.94 BCHE (0.68) BCHETHRATHRBRARBMEN1
SCHEMBL16436179 0.93 BCHE (0.67) BCHETHRATHRBRARBMAPT
SCHEMBL14264266 0.90 BCHE (0.63) BCHETHRATHRBRARB
SCHEMBL10306615 0.90 BCHE (0.63) BCHETHRATHRBRARB
SCHEMBL21704943 0.90 BCHE (0.63) BCHETHRATHRBRARB
SCHEMBL15764102 0.90 BCHE (0.63) BCHETHRATHRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753675-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
EP-2708587-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2015-07-15 EP disclosed
WO-2015101405-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-09 WO disclosed
EP-2568032-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-11-26 EP disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
EP-2708587-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2014-03-19 EP disclosed
EP-2568032-A2 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2013-03-13 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-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 BCHE 3124/4885THRA 4397/4885THRB 3904/4885

“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.