SCHEMBL16769008

SCHEMBL16769008

O=C1CCC(C2CCC(C3CCC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ALDH1A1 P00352 2/20 0.40
ESR2 Q92731 2/20 0.33
MAPK1 P28482 1/20 0.32
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30

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
SCHEMBL11688478 0.97 TRIM24 (0.44) TRIM24TRIM33ALDH1A1ESR2MAPK1
SCHEMBL16755114 0.97 TRIM24 (0.44) TRIM24TRIM33ALDH1A1ESR2MAPK1
SCHEMBL16769007 0.94 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1ESR2NOS3
SCHEMBL11863958 0.92 TRIM24 (0.47) TRIM24TRIM33ALDH1A1ESR2MAPK1
SCHEMBL918713 0.91 ALDH1A1 (0.50) TRIM24TRIM33ALDH1A1ESR2NOS3
SCHEMBL9234017 0.91 TRIM24 (0.41) TRIM24TRIM33ALDH1A1ESR2
SCHEMBL28670982 0.91 TRIM24 (0.41) TRIM24TRIM33ALDH1A1ESR2
SCHEMBL510703 0.88 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1ESR2NOS3
SCHEMBL17070212 0.88 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1ESR2NOS3
SCHEMBL510704 0.87 TRIM24 (0.44) TRIM24TRIM33ALDH1A1ESR2

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-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-9481828-B2 Liquid Crystal compound containing cyclobutyl group and difluoromethyleneoxy linking group, and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2016-11-01 US disclosed
US-9481828-B2 Liquid Crystal compound containing cyclobutyl group and difluoromethyleneoxy linking group, and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2016-11-01 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-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-10-08 US disclosed
US-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-10-08 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 (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-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof CFB, CFL1, FASTKD1 TRIM24 4417/4885TRIM33 4407/4885ALDH1A1 4723/4885
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 TRIM24 2988/4885TRIM33 3455/4885ALDH1A1 3421/4885

“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.