SCHEMBL13952087

SCHEMBL13952087

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.41
▸ CDK5 Q00535 5/20 0.40
▸ CDK5R1 Q15078 5/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC3 O15379 5/20 0.38
▸ HDAC4 P56524 5/20 0.38
▸ HDAC7 Q8WUI4 5/20 0.38
▸ HDAC2 Q92769 5/20 0.38
▸ HDAC10 Q969S8 5/20 0.38
▸ HDAC11 Q96DB2 5/20 0.38
▸ HDAC8 Q9BY41 5/20 0.38
▸ HDAC9 Q9UKV0 5/20 0.38
▸ HDAC5 Q9UQL6 5/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13952178 0.92 HDAC1 (0.40) HDAC1HDAC6CDK5CDK5R1RAB9A
SCHEMBL13897557 0.85 HDAC1 (0.38) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL14642758 0.81 NPC1 (0.44) HDAC1HDAC6CDK5CDK5R1RAB9A
SCHEMBL13375774 0.79 TYMP (0.47) ADORA3ADORA2BADORA1
SCHEMBL13930533 0.79 TYMP (0.47) ADORA3ADORA2BADORA1
SCHEMBL13375787 0.79 ADORA3 (0.39) CDK5CDK5R1ADORA3ADORA2BADORA1
SCHEMBL16041215 0.78 HDAC1 (0.46) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL16038513 0.78 HDAC1 (0.46) HDAC1HDAC6CDK5CDK5R1CCNB2
SCHEMBL23056372 0.77 HDAC1 (0.47) HDAC1HDAC6ADORA3ADORA1KDR
SCHEMBL16198031 0.77 HDAC1 (0.47) 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-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 HDAC1 3837/4885HDAC6 1903/4885CDK5 2371/4885

“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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