SCHEMBL12408499

SCHEMBL12408499

COC(=O)/C=C/c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.55
▸ TTR P02766 1/20 0.52
▸ APP P05067 1/20 0.52
▸ IP6K1 Q92551 1/20 0.50
▸ IP6K3 Q96PC2 1/20 0.50
▸ IP6K2 Q9UHH9 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ KDM4E B2RXH2 7/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ TYR P14679 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ MAPT P10636 6/20 0.48

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
SCHEMBL30440640 1.00 KIF11 (0.55) KIF11TTRAPPIP6K1IP6K3
SCHEMBL1071505 1.00 KIF11 (0.55) KIF11TTRAPPIP6K1IP6K3
SCHEMBL31418696 0.90 KIF11 (0.45) KIF11TTRAPPIP6K1IP6K3
SCHEMBL22804962 0.82 KIF11 (0.61) KIF11TTRAPPIP6K1IP6K3
SCHEMBL12425753 0.82 HDAC1 (0.61) KIF11
SCHEMBL12489263 0.80 KIF11 (0.51) KIF11KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL22203071 0.78 KIF11 (0.55) KIF11KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL23839435 0.77 KIF11 (0.54) KIF11KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL27371971 0.77 TTR (0.62) TTRAPPKDM4EKMT2ACA12
SCHEMBL32690804 0.77 CCNB2 (0.44) TTRAPPIP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481714-B2 Light-responsive artificial nucleotide having photo-crosslinking ability JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2013-07-09 — — US disclosed
US-8481714-B2 Light-responsive artificial nucleotide having photo-crosslinking ability JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2013-07-09 — — US disclosed
US-7972792-B2 Sequence-specific nucleic acid purification method manner JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2011-07-05 — — US disclosed
US-20110034683-A1 SEQUENCE-SPECIFIC NUCLEIC ACID PURIFICATION METHOD MANNER JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2011-02-10 — — US disclosed
US-20100274000-A1 LIGHT-RESPONSIVE ARTIFICIAL NUCLEOTIDE HAVING PHOTO-CROSSLINKING ABILITY JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2010-10-28 — — 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-20100274000-A1 LIGHT-RESPONSIVE ARTIFICIAL NUCLEOTIDE HAVING PHOTO-CROSSLINKING ABILITY NME2, NR2E3, NSUN2 KIF11 2780/4885TTR 2857/4885APP 2763/4885
US-20110034683-A1 SEQUENCE-SPECIFIC NUCLEIC ACID PURIFICATION METHOD MANNER UNG, LIG1, NUDT21 KIF11 2663/4885TTR 4133/4885APP 4380/4885

“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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