SCHEMBL16419741

SCHEMBL16419741

CCCCOc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(OCCCN)c(OCCCN)c6)nn5)cc4c3)nn2)cc1OCCCN

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OGT O15294 2/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ SQSTM1 Q13501 1/20 0.38
▸ MIF P14174 2/20 0.38
▸ P2RY14 Q15391 1/20 0.37
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 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
SCHEMBL15036880 0.95 MAPT (0.43) OGTCA1CA2MAPTSNCA
SCHEMBL16419751 0.89 KEAP1 (0.44) CA1CA2CA12CA9MAPT
SCHEMBL16419752 0.86 CYP1B1 (0.45) OGTCA1CA2CA12CA9
SCHEMBL15274991 0.85 KEAP1 (0.49) OGTMIFP2RY14
SCHEMBL15036892 0.83 HSD17B1 (0.46) CA1CA2CA12CA9MAPT
SCHEMBL16419776 0.80 CYP1B1 (0.47) OGTMAPTSNCASQSTM1MIF
SCHEMBL15036900 0.79 KEAP1 (0.48) OGTMAPTSNCAMIF
SCHEMBL15036871 0.79 OGT (0.43) OGTMAPTSNCASQSTM1MIF
SCHEMBL16603465 0.76 KEAP1 (0.55) P2RY14
SCHEMBL15274989 0.74 CYP1B1 (0.56) CA1CA2CA12CA9MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 OGT 81/4885CA1 1067/4885CA2 1405/4885

“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.

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