SCHEMBL16769007

SCHEMBL16769007

O=C1CCC(C2CCC(C3CCCC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
ESR2 Q92731 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.31

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
SCHEMBL918713 0.97 ALDH1A1 (0.50) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL17070212 0.94 ALDH1A1 (0.47) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL510703 0.94 ALDH1A1 (0.47) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL16769008 0.94 TRIM24 (0.42) ALDH1A1TRIM24TRIM33NOS3NOS1
SCHEMBL16755114 0.91 TRIM24 (0.44) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL11688478 0.91 TRIM24 (0.44) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL9234017 0.91 TRIM24 (0.41) ALDH1A1TRIM24TRIM33ESR2
SCHEMBL28670982 0.91 TRIM24 (0.41) ALDH1A1TRIM24TRIM33ESR2
Ethylene SCHEMBL8728226 0.89 ALDH1A1 (0.43) ALDH1A1TRIM24TRIM33CA1CA2
SCHEMBL29126206 0.89 TRIM24 (0.58) ALDH1A1TRIM24TRIM33CA1CA2

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-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-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 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 ALDH1A1 3421/4885TRIM24 2988/4885TRIM33 3455/4885

“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.