SCHEMBL16769032

SCHEMBL16769032

CCOc1ccc(OCC2CCC(C3CCC3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
RIPK1 Q13546 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM1A O60341 2/20 0.36
FFAR1 O14842 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16769031 0.97 HTR2A (0.38) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL21609932 0.95 APOBEC3G (0.38) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL24170294 0.94 HTR2C (0.41) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL12366408 0.91 HTR2A (0.38) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL24170297 0.90 HTR2A (0.41) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL18626141 0.89 ALDH1A1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL24170303 0.88 HTR2C (0.44) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL8448296 0.88 RIPK1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL8448293 0.88 RIPK1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL8448300 0.88 RIPK1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362509-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-12-21 US disclosed
US-9777220-B2 Polymerizable compound-containing liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2017-10-03 US disclosed
EP-2952554-B1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2017-03-01 EP disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-20160244672-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2016-08-25 US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 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-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 HTR2C 3779/4885HTR2A 3920/4885HTR2B 3829/4885

“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.