SCHEMBL18159211

SCHEMBL18159211

CCCCOc1c(C#N)c(F)c(F)c(C#N)c1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 5/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LTA4H P09960 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL18159206 0.93 MAPT (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL18159207 0.92 MAPT (0.38) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL10826619 0.91 MAPT (0.35) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL8162404 0.89 MAPT (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL18159212 0.87 MAPT (0.37) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL18159231 0.84 KDM4E (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL10457361 0.83 MAPT (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL25632733 0.83 MAPT (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL18159230 0.81 KDM4E (0.36) MAPTHPGDKDM4EGAAMAPK8
SCHEMBL10826725 0.79 ALDH1A1 (0.35) MAPK8ALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3789451-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS Cornell University (US) 2021-03-10 EP disclosed
US-20210053025-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2021-02-25 US disclosed
US-10882023-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2021-01-05 US disclosed
EP-3286261-B1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING SAME UNIV CORNELL (US) 2020-10-21 EP disclosed
US-20180093252-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2018-04-05 US disclosed
US-20180093252-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2018-04-05 US disclosed
US-9855545-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2018-01-02 US disclosed
US-20170173560-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2017-06-22 US disclosed
US-20170173560-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2017-06-22 US disclosed
US-9624314-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2017-04-18 US disclosed
US-9624314-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2017-04-18 US disclosed
WO-2016172118-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY (US) 2016-10-27 WO disclosed
US-20160304630-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2016-10-20 US disclosed
US-20160304630-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2016-10-20 US disclosed