SCHEMBL13657338

SCHEMBL13657338

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.48
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.43
GAA P10253 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 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
SCHEMBL13657341 0.97 KMT2A (0.47) KMT2AMAPTMEN1GAAMRGPRX4
SCHEMBL16885059 0.94 KMT2A (0.52) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL13657334 0.93 KMT2A (0.57) KMT2AMAPTMEN1GAALMNA
SCHEMBL16885049 0.93 KMT2A (0.53) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL16425816 0.93 KMT2A (0.53) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL19982368 0.93 KMT2A (0.53) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL19982370 0.92 KMT2A (0.52) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL23227544 0.91 KMT2A (0.49) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL14346685 0.90 KMT2A (0.48) KMT2AMAPTMEN1GAALMNA
SCHEMBL13657333 0.90 KMT2A (0.56) KMT2AMAPTMEN1GAALMNA

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 157/4885MEN1 3715/4885

“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.