SCHEMBL16186367

SCHEMBL16186367

Fc1cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCCC4)cc3)cc2F)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
APP P05067 1/20 0.36
S1PR1 P21453 1/20 0.34
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 2/20 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
SCHEMBL16978420 1.00 CYP3A4 (0.36) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL21019055 0.99 CYP3A4 (0.37) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL17070200 0.99 CYP3A4 (0.37) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL16546479 0.97 CYP3A4 (0.33) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL17147788 0.97 CYP3A4 (0.33) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL16978449 0.95 CYP3A4 (0.33) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL16978421 0.95 CYP3A4 (0.33) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL17070267 0.94 CYP3A4 (0.35) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL16978458 0.94 CYP3A4 (0.36) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL16978432 0.93 CYP3A4 (0.31) CYP3A4CYP2C9APP

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457869-B2 Liquid crystal composition and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2019-10-29 US disclosed
US-9994769-B2 Liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO, LTD. (CN) 2018-06-12 US disclosed
US-9994769-B2 Liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO, LTD. (CN) 2018-06-12 US disclosed
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed
US-20180037818-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-02-08 US disclosed
US-20170015906-A1 LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO, LTD. (CN) 2017-01-19 US disclosed
US-20170015906-A1 LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO, LTD. (CN) 2017-01-19 US disclosed
US-9493704-B2 Cycloheptane derivative and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-11-15 US disclosed
US-9493704-B2 Cycloheptane derivative and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-11-15 US disclosed
US-9458381-B2 Liquid crystal compounds containing deuterium SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-10-04 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 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-20150252261-A1 CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2015-09-10 US disclosed
US-20150252261-A1 CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2015-09-10 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-20140312275-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DEUTERIUM SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2014-10-23 US disclosed
US-20140312275-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DEUTERIUM SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2014-10-23 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-20150252261-A1 CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF DHPS, DHCR24, CCNT1 CYP3A4 1216/4885CYP2C9 1304/4885APP 607/4885

“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.