SCHEMBL13952071

SCHEMBL13952071

CC(CO)O[C@H](CCO)n1cnc2c(NC(=O)c3ccc(CNC(=O)OCC4c5ccccc5-c5ccccc54)cc3)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ CCNB2 O95067 3/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ CCNB3 Q8WWL7 3/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 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
SCHEMBL16417876 0.94 CDK5 (0.35) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL13952072 0.80 CDK5 (0.39) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL13375778 0.77 CDK5 (0.37) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL16417879 0.77 LMNA (0.32) DOT1L
SCHEMBL13375794 0.77 CDK5 (0.39) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20052009 0.76 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13375773 0.75 ADORA1 (0.44) ADORA1
SCHEMBL13375827 0.74 SLC29A1 (0.52) ADORA1
SCHEMBL13930566 0.74 SLC29A1 (0.52) ADORA1
SCHEMBL13930529 0.74 SLC29A1 (0.52) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 — — 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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC CDK5 2371/4885CDK5R1 2061/4885CCNB2 2215/4885

“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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