SCHEMBL890491

SCHEMBL890491

COc1cc(C)cc(-c2c(C)cc(OC)c(OC)c2OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
EPHX2 P34913 3/20 0.49
ERN1 O75460 2/20 0.42
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIM1 P11309 1/20 0.39
PTPN1 P18031 1/20 0.38
GAA P10253 3/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL16091526 0.81 ACHE (0.59) ACHEEPHX2ERN1MAPTCYP3A4
SCHEMBL7520392 0.78 ERN1 (0.57) ACHEERN1MAPTPTPN1GAA
SCHEMBL4305857 0.76 ACHE (0.54) ACHEEPHX2MAPTATMCYP3A4
SCHEMBL16024748 0.75 ERN1 (0.50) ACHEEPHX2ERN1MAPTPTPN1
SCHEMBL18525393 0.75 ERN1 (0.46) ACHEERN1MAPTPIM1PTPN1
SCHEMBL890469 0.75 ERN1 (0.46) ACHEERN1MAPTCYP3A4PTPN1
SCHEMBL801089 0.73 ERN1 (0.45) ACHEERN1MAPTPIM1PTPN1
SCHEMBL29421891 0.73 EPHX2 (0.57) ACHEEPHX2ERN1MAPTATM
SCHEMBL4472439 0.73 EPHX2 (0.57) ACHEEPHX2ERN1MAPTATM
SCHEMBL17655758 0.72 ACHE (0.76) ACHEERN1MAPTCYP3A4TUBB4A

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
US-9771311-B2 Coupling a phenol and an arene using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2017-09-26 US disclosed
US-9771311-B2 Coupling a phenol and an arene using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2017-09-26 US disclosed
US-20160340281-A1 COUPLING A PHENOL AND AN ARENE USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2016-11-24 US disclosed
US-20160340281-A1 COUPLING A PHENOL AND AN ARENE USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2016-11-24 US disclosed
EP-3095776-A1 Coupling of a phenol and an arene using selenium dioxide Evonik Degussa GmbH (DE) 2016-11-23 EP disclosed
US-8747646-B2 Process for the anodic cross-dehydrodimerization of arenes BASF SE (DE) 2014-06-10 US disclosed
EP-2438214-B1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2013-05-29 EP disclosed
EP-2438214-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-11 EP disclosed
US-20120080320-A1 PROCESS FOR THE ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-05 US disclosed
WO-2010139685-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2010-12-09 WO 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-20160340281-A1 COUPLING A PHENOL AND AN ARENE USING SELENIUM DIOXIDE TYR, SCLY, SELENOI ACHE 1678/4885EPHX2 164/4885ERN1 2115/4885

“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.