SCHEMBL2201281

SCHEMBL2201281

N#Cc1ccc(-c2ccc(OCCCCCCBr)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
SCHEMBL9227146 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218797-B Liquid crystal molecule modified pyrimidine diamine monomer, liquid crystal orientation material derived from same and synthesis method thereof 同济大学 2020-03-17 CN disclosed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
CN-100567264-C Dendrimer and dendrimer, its production method and the method for producing thioacetal compound FUJI PHOTO FILM CO LTD (JP) 2009-12-09 CN disclosed
US-7501210-B2 Photo-responsive high-molecular compound, photo-responsive high-molecular composition, dicarboxylic acid monomer, polyester, optical recording medium and optical record reproducing device FUJI XEROX CO., LTD. (JP) 2009-03-10 US disclosed
US-20080262238-A1 Dendron and Dendrimer, Method of Producing the Same, and Method of Producing a Thioacetal Compound FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 US disclosed
EP-1730106-A4 DENDRON AND DENDRIMER, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING A THIOACETAL COMPOUND FUJIFILM CORP (JP) 2007-12-12 EP disclosed
US-20070184234-A1 PHOTO-RESPONSIVE HIGH-MOLECULAR COMPOUND, PHOTO-RESPONSIVE HIGH-MOLECULAR COMPOSITION, DICARBOXYLIC ACID MONOMER, POLYESTER, OPTICAL RECORDING MEDIUM AND OPTICAL RECORD REPRODUCING DEVICE FUJI XEROX CO., LTD., TOKYO, JAPAN 2007-08-09 US disclosed
US-20040029038-A1 Photo-responsive high-molecular compound, photo-responsive high-molecular composition, dicarboxylic acid monomer, polyester, optical recording medium and optical record reproducing device FUJI XEROX CO., LTD. (JP) 2004-02-12 US disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 WO disclosed
US-5389285-A Liquid crystal coupled dichroic dyes HERCULES INCORPORATED (US) 1995-02-14 US disclosed
EP-0445628-B1 Polymerizable nematic monomer compositions HERCULES INC (US) 1995-01-25 EP disclosed
EP-0445629-B1 Process of preparing liquid crystal compositions containing multiple oriented mesogens HERCULES INC (US) 1994-09-21 EP disclosed
US-5202053-A Blends HERCULES INCORPORATED (US) 1993-04-13 US disclosed
US-5073294-A Liquid crystal polymers HERCULES INCORPORATED (US) 1991-12-17 US disclosed
EP-0445629-A2 Process of preparing liquid crystal compositions containing multiple oriented mesogens HERCULES INCORPORATED (US) 1991-09-11 EP disclosed
EP-0445628-A2 Polymerizable nematic monomer compositions HERCULES INCORPORATED (US) 1991-09-11 EP disclosed
EP-0432735-A2 Liquid crystal coupled dichroic dyes HERCULES INCORPORATED (US) 1991-06-19 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-20080262238-A1 Dendron and Dendrimer, Method of Producing the Same, and Method of Producing a Thioacetal Compound TXN, TST, TTL HDAC1 2138/4885HDAC2 2435/4885MMP3 4308/4885

“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.