SCHEMBL16871069

SCHEMBL16871069

CCCC1CCC(c2ccc(CCc3ccc(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRL1 P41146 9/20 0.32
KDM1A O60341 2/20 0.31
HTT P42858 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL12739663 0.96 CYP2C9 (0.33) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL12734852 0.96 CYP2C9 (0.33) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL1242548 0.92 OPRL1 (0.33) OPRL1KDM1A
SCHEMBL14922530 0.92 OPRL1 (0.33) OPRL1KDM1A
SCHEMBL1242547 0.92 OPRL1 (0.33) OPRL1KDM1A
SCHEMBL2604709 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18134228 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL30665195 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL3274912 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL12733782 0.92 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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

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-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, WASF2, NOTUM CYP2C9 486/4885ALDH1A1 640/4885MAPT 2141/4885

“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.