SCHEMBL18079151

SCHEMBL18079151

N#Cc1ccc(-c2ccc(OCCCCCCCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
MMP3 P08254 5/20 0.64
MMP2 P08253 5/20 0.64
HRH3 Q9Y5N1 10/20 0.63
HRH2 P25021 8/20 0.63
HRH1 P35367 8/20 0.63
MMP1 P03956 1/20 0.58
MMP9 P14780 1/20 0.58
MMP13 P45452 1/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL16841044 1.00 HDAC1 (0.67) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL29444063 1.00 HDAC1 (0.67) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL26602050 0.98 MMP3 (0.66) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL7387284 0.94 HRH3 (0.66) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL7983991 0.94 HRH3 (0.66) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5526919 0.94 HRH3 (0.66) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL12408526 0.94 HRH3 (0.66) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5519875 0.91 HRH3 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL25187982 0.91 KDM4E (0.71) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL25189699 0.91 KDM4E (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570334-B2 Liquid crystal compound, liquid crystal composition, composite material with encapsulated liquid crystal, and liquid crystal display device using same JNC CORPORATION (JP) 2020-02-25 US disclosed
US-20180051210-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL WITH ENCAPSULATED LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME JNC CORPORATION (JP) 2018-02-22 US disclosed
WO-2016143634-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL JNC株式会社 2016-09-15 WO 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-10570334-B2 Liquid crystal compound, liquid crystal composition, composite material with encapsulated liquid crystal, and liquid crystal display device using same SOD1, SLC39A11, MTX1 HDAC1 2319/4885HDAC2 4126/4885MMP3 321/4885

“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.