SCHEMBL12601697

SCHEMBL12601697

CC[C@H]1O[C@@H](n2ncc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OC(=O)CCC(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RET P07949 5/20 0.36
▸ KDR P35968 5/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13889495 1.00 POLB (0.37) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL12601698 0.93 POLB (0.38) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL13889497 0.93 POLB (0.38) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL889922 0.89 SMN1; SMN2 (0.36) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL889888 0.82 RET (0.37) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL13889496 0.82 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL26298205 0.82 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL12601699 0.82 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2MAPK1RET
SCHEMBL12601712 0.76 ADK (0.48) RETKDRSIGMAR1
SCHEMBL26298301 0.76 ADK (0.48) RETKDRSIGMAR1

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-7943752-B2 Modified oligonucleotides and applications thereof Applied Biosystems, L.L.C. (US) 2011-05-17 — — US disclosed
US-20090226924-A1 Modified Oligonucleotides and Applications Thereof APPLERA CORPORATION 2009-09-10 — — 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-20090226924-A1 Modified Oligonucleotides and Applications Thereof RNGTT, POLRMT, POLM POLB 8/4885ALDH1A1 3067/4885SMN1; SMN2 2961/4885

“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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