SCHEMBL13897557

SCHEMBL13897557

COc1ccc(C(OC[C@@H](OCn2cnc3c(NC(=O)c4ccc(CNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)ncnc32)C(C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ IARS1 P41252 1/20 0.34
▸ CTSL P07711 2/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MARS1 P56192 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
SCHEMBL13952087 0.85 HDAC1 (0.41) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL13375794 0.85 CDK5 (0.39) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL13375778 0.84 CDK5 (0.37) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL13952168 0.84 HINT1 (0.33) HDAC1HDAC6CDK5CDK5R1
SCHEMBL13952070 0.82 TYMP (0.32) HDAC1HDAC6IARS1
SCHEMBL12724727 0.81 TYMP (0.46) ADORA1
SCHEMBL13930532 0.81 TYMP (0.46) ADORA1
SCHEMBL13897165 0.81 TYMP (0.46) ADORA1
SCHEMBL13375795 0.80 ADORA1 (0.40) ADORA1
SCHEMBL13952178 0.78 HDAC1 (0.40) HDAC1HDAC6CDK5CDK5R1CCNB2

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-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID FUJITSU LIMITED (JP) 2009-03-05 — — 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-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID NSUN2, RNMT, ADAR HDAC1 1560/4885HDAC6 2196/4885CDK5 4293/4885

“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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