SCHEMBL9227146

SCHEMBL9227146

N#Cc1ccc(-c2ccc(OCCCCCCCCCBr)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
MMP3 P08254 5/20 0.56
MMP2 P08253 5/20 0.55
HRH3 Q9Y5N1 10/20 0.55
HRH2 P25021 8/20 0.55
HRH1 P35367 8/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9224982 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL6709272 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL17749614 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5096630 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9227809 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5097451 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL2201281 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9167569 0.98 MMP3 (0.57) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5522642 0.95 HRH3 (0.57) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL11031564 0.95 HRH3 (0.57) HDAC1HDAC2MMP3MMP2HRH3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711196-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2020-07-14 US disclosed
US-10343982-B2 Compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-07-09 US disclosed
EP-3071669-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY DEVICE MERCK PATENT GMBH (DE) 2018-06-20 EP disclosed
EP-2855631-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-09-20 EP disclosed
EP-2855627-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-09-20 EP disclosed
US-9752075-B2 Mesogenic media and liquid crystal display MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9752075-B2 Mesogenic media and liquid crystal display MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
EP-3049506-B1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2928985-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-20160298031-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
WO-2015074737-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-28 WO disclosed
US-20150090935-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 US disclosed
US-20150090935-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 US disclosed
WO-2015043713-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 WO disclosed
WO-2014090372-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2014-06-19 WO disclosed
WO-2013174478-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2013-11-28 WO disclosed
WO-2013174481-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-11-28 WO disclosed
EP-0445628-B1 Polymerizable nematic monomer compositions HERCULES INC (US) 1995-01-25 EP disclosed
US-5202053-A Blends HERCULES INCORPORATED (US) 1993-04-13 US disclosed
EP-0445628-A2 Polymerizable nematic monomer compositions HERCULES INCORPORATED (US) 1991-09-11 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 (2 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-10343982-B2 Compounds and mesogenic media MTX1, NEFM, MTX2 HDAC1 4134/4885HDAC2 4827/4885MMP3 256/4885
US-10711196-B2 Bimesogenic compounds and mesogenic media BMP2, NEFM, MTX1 HDAC1 4587/4885HDAC2 4840/4885MMP3 218/4885

“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.