SCHEMBL4551683

SCHEMBL4551683

CCOC(COc1ccccc1C)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 2/20 0.54
SCN4A P35499 2/20 0.53
ALOX15 P16050 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL13984211 0.85 ALOX15 (0.53) KDM4ECYP1A2ALOX15LMNATDP1
SCHEMBL29678765 0.83 CYP1A2 (0.38) KDM4ECYP1A2SCN4AALOX15KMT2A
SCHEMBL18305182 0.83 CYP1A2 (0.38) KDM4ECYP1A2SCN4AALOX15KMT2A
SCHEMBL24947656 0.83 CYP1A2 (0.38) KDM4ECYP1A2SCN4AALOX15KMT2A
SCHEMBL1919969 0.81 LMNA (0.54) KDM4ECYP1A2ALOX15LMNASMN1; SMN2
SCHEMBL14404028 0.80 ALOX15 (0.38) KDM4ECYP1A2SCN4AALOX15LMNA
SCHEMBL31357858 0.80 ALOX15 (0.38) KDM4ECYP1A2SCN4AALOX15LMNA
SCHEMBL9338341 0.80 L3MBTL1 (0.56) KDM4ECYP1A2ALOX15KMT2AMEN1
SCHEMBL22069687 0.80 L3MBTL1 (0.47) CYP1A2KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL1866136 0.80 KMT2A (0.48) CYP1A2ALOX15KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
EP-2138489-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME Kowa Company. Ltd. (JP) 2009-12-30 EP 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-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC KDM4E 3178/4885CYP1A2 849/4885SCN4A 2232/4885

“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.