SCHEMBL2222368

SCHEMBL2222368

OB(O)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.62
MGLL Q99685 2/20 0.55
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
APP P05067 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTPN11 Q06124 1/20 0.43
HNF4A P41235 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41

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
SCHEMBL932696 0.82 ENPP2 (0.60) ENPP2MGLLCA4CA6CA5A
SCHEMBL29469118 0.82 ENPP2 (0.60) ENPP2MGLLCA4CA6CA5A
SCHEMBL708054 0.80 ENPP2 (0.59) ENPP2MGLLCA4CA6CA5A
SCHEMBL29953287 0.77 ENPP2 (0.55) ENPP2MGLLCA4CA6CA5A
SCHEMBL18995970 0.77 ENPP2 (0.64) ENPP2MGLLCA4CA6CA5A
SCHEMBL30002811 0.77 ENPP2 (1.00) ENPP2MGLLCA4CA6CA5A
SCHEMBL31562013 0.77 ENPP2 (0.64) ENPP2MGLLCA4CA6CA5A
SCHEMBL4883 0.77 ENPP2 (1.00) ENPP2MGLLCA4CA6CA5A
SCHEMBL6364777 0.77 APP (0.75) APPCA1CA2CA12CA9
SCHEMBL789866 0.74 ENPP2 (0.70) ENPP2MGLLCA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10326077-B2 Soluble graphene nanostructures and assemblies therefrom INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-06-18 US disclosed
US-20160308134-A1 SOLUBLE GRAPHENE NANOSTRUCTURES AND ASSEMBLIES THEREFROM UNIV INDIANA RES & TECH CORP (US) 2016-10-20 US disclosed
WO-2011085185-A1 SOLUBLE GRAPHENE NANOSTRUCTURES AND ASSEMBLIES THEREFROM LI LIANG-SHI (US) 2011-07-14 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 (2 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-10326077-B2 Soluble graphene nanostructures and assemblies therefrom EPCAM, CDH1, ICAM1 ENPP2 4034/4885MGLL 2082/4885CA4 3114/4885
US-20160308134-A1 SOLUBLE GRAPHENE NANOSTRUCTURES AND ASSEMBLIES THEREFROM EPCAM, CDH1, ICAM1 ENPP2 4034/4885MGLL 2082/4885CA4 3114/4885

“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.