SCHEMBL17997290

SCHEMBL17997290

CCOc1ccc(C#Cc2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
ACACB O00763 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
S1PR1 P21453 3/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 1/20 0.30
KCNH2 Q12809 1/20 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
SCHEMBL12733987 0.93 S1PR1 (0.30) S1PR1SSTR3SSTR5KCNH2
SCHEMBL9405701 0.91 KDM1A (0.36) KDM1AGRIN1GRIN2BSSTR3SSTR5
SCHEMBL12716045 0.91 KDM1A (0.36) KDM1AGRIN1GRIN2BSSTR3SSTR5
SCHEMBL9405698 0.91 KDM1A (0.36) KDM1AGRIN1GRIN2BSSTR3SSTR5
SCHEMBL9631105 0.87 KDM1A (0.34) KDM1AGRIN1GRIN2B
SCHEMBL7935723 0.87 OPRL1 (0.34) KDM1AGRIN1GRIN2B
SCHEMBL9630268 0.87 OPRL1 (0.34) KDM1AGRIN1GRIN2B
SCHEMBL5849019 0.87 KDM1A (0.34) KDM1AGRIN1GRIN2B
SCHEMBL7935718 0.87 OPRL1 (0.34) KDM1AGRIN1GRIN2B
SCHEMBL9630260 0.87 OPRL1 (0.34) KDM1AGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670503-B1 COMPOUND, LIQUID CRYSTAL MEDIUM CONTAINING SAME, AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD (CN) 2023-10-18 EP disclosed
US-11208395-B2 Compound, liquid crystal medium containing the compound and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-12-28 US disclosed
EP-3670503-A1 COMPOUND, LIQUID CRYSTAL MEDIUM CONTAINING SAME, AND USE THEREOF Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd. (CN) 2020-06-24 EP disclosed
US-20190345129-A1 COMPOUND, LIQUID CRYSTAL MEDIUM CONTAINING THE COMPOUND AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-11-14 US disclosed
US-10351773-B2 Liquid crystal compounds of cycloalkyl-containing dibenzofuran derivatives, preparation method therefor and use thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-07-16 US disclosed
US-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO.,LTD (CN) 2018-04-26 US disclosed
US-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO.,LTD (CN) 2018-04-26 US disclosed
US-9540565-B2 Liquid crystal compounds containing dibenzopyran derivatives of naphthenic base and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2017-01-10 US disclosed
US-9540565-B2 Liquid crystal compounds containing dibenzopyran derivatives of naphthenic base and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2017-01-10 US disclosed
US-20160230092-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DIBENZOPYRAN DERIVATIVES OF NAPHTHENIC BASE AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2016-08-11 US disclosed
US-20160230092-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DIBENZOPYRAN DERIVATIVES OF NAPHTHENIC BASE AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2016-08-11 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 (4 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-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, WASF2, NOTUM KDM1A 4331/4885ACACB 1709/4885GRIN1 3266/4885
US-20190345129-A1 COMPOUND, LIQUID CRYSTAL MEDIUM CONTAINING THE COMPOUND AND APPLICATION THEREOF ABCG2, TPST2, TST KDM1A 4208/4885ACACB 3411/4885GRIN1 2836/4885
US-11208395-B2 Compound, liquid crystal medium containing the compound and application thereof TST, TPST2, ABCG2 KDM1A 4187/4885ACACB 3458/4885GRIN1 2793/4885
US-10351773-B2 Liquid crystal compounds of cycloalkyl-containing dibenzofuran derivatives, preparation method therefor and use thereof CYP4F11, WASF2, NOTUM KDM1A 4331/4885ACACB 1709/4885GRIN1 3266/4885

“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.