SCHEMBL5961894

SCHEMBL5961894

COc1cc[n+]([O-])c(C[O])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK14 Q16539 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL10752466 0.83 BCL2 (0.38) BCL2NPC1RAB9ACA12CA1
SCHEMBL21056503 0.81 KDM4E (0.37) BCL2NPC1RAB9AMAPK14CA12
SCHEMBL6840996 0.80 BCL2 (0.36) BCL2CA12CA1CA2CA7
SCHEMBL3786646 0.75 BCL2 (0.40) BCL2CA12CA1CA2CA7
SCHEMBL8896547 0.74 PRSS1 (0.32) BCL2
SCHEMBL5944757 0.72 BCL2 (0.41) BCL2CA12CA1CA2CA7
SCHEMBL1999459 0.72 BCL2 (0.41) BCL2RAB9ACA12CA1CA2
SCHEMBL5801902 0.72
SCHEMBL877569 0.71 BCL2 (0.40) BCL2CA12CA1CA2CA7
SCHEMBL10701753 0.71 BCL2 (0.40) BCL2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2002-10-24 US claimed
US-7115738-B2 Hydroxyproline/phosphono oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF (US) 2006-10-03 US disclosed
US-6962906-B2 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF (US) 2005-11-08 US disclosed
EP-1481085-A2 OLIGONUCLEOTIDE ANALOGUES AND METHODS OF USE FOR MODULATING GENE EXPRESSION Active Motif (US) 2004-12-01 EP disclosed
US-20040014644-A1 Oligonucleotide analogues and methods of use for modulating gene expression ACTIVE MOTIF. 2004-01-22 US disclosed
WO-2003068798-A2 OLIGONUCLEOTIDE ANALOGUES AND METHODS OF USE FOR MODULATING GENE EXPRESSION ACTIVE MOTIF (US) 2003-08-21 WO disclosed
US-20030059789-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2003-03-27 US disclosed
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2002-10-24 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 (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-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use HIRA, PHAX, SSU72 BCL2 2192/4885NPC1 3503/4885RAB9A 4787/4885
US-20040014644-A1 Oligonucleotide analogues and methods of use for modulating gene expression CRYAA, SRRT, HIRA BCL2 1331/4885NPC1 3935/4885RAB9A 4623/4885

“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.