SCHEMBL13657334

SCHEMBL13657334

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MAPT P10636 3/20 0.47
CYP3A4 P08684 3/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL13657333 0.97 KMT2A (0.56) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL16885059 0.97 KMT2A (0.52) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL16425816 0.96 KMT2A (0.53) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL19982368 0.96 KMT2A (0.53) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL16885049 0.96 KMT2A (0.53) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL19982370 0.95 KMT2A (0.52) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL23227544 0.94 KMT2A (0.49) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL13657338 0.93 KMT2A (0.48) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL14346685 0.93 KMT2A (0.48) KMT2AMAPTCYP3A4MEN1TDP1
SCHEMBL15855597 0.92 MAPT (0.50) KMT2AMAPTCYP3A4MEN1TDP1

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 157/4885CYP3A4 3250/4885

“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.