SCHEMBL13657341

SCHEMBL13657341

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MAPT P10636 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
PLA2G4B P0C869 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL13657338 0.97 KMT2A (0.48) KMT2AMAPTMRGPRX4MEN1GAA
SCHEMBL19982370 0.95 KMT2A (0.52) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL19982368 0.94 KMT2A (0.53) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL16425816 0.94 KMT2A (0.53) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL16885049 0.94 KMT2A (0.53) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL13657333 0.93 KMT2A (0.56) KMT2AMAPTMEN1GAAPLA2G4B
SCHEMBL16885059 0.93 KMT2A (0.52) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL23227537 0.91 KMT2A (0.48) KMT2AMAPTMEN1PLA2G4BHDAC6
SCHEMBL14346682 0.90 KMT2A (0.47) KMT2AMAPTMEN1GAAPLA2G4B
SCHEMBL14346623 0.90 KMT2A (0.47) KMT2AMAPTMEN1GAAPLA2G4B

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-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
US-7597942-B2 Polymerisable liquid crystal material MERCK PATENT GMBH (DE) 2009-10-06 US disclosed
US-20080143943-A1 Polymerisable Liquid Crystal Material MERCK PATENT GMBH (DE) 2008-06-19 US 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-20080143943-A1 Polymerisable Liquid Crystal Material VCL, LCT, LCP1 KMT2A 2933/4885MAPT 157/4885MRGPRX4 3578/4885

“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.