SCHEMBL14703487

SCHEMBL14703487

CCN(Cc1ccc(CN(CCCCN(Cc2ccc(CN(CCCCN(Cc3ccc(CN(CCN)C(=O)CCC(=O)OC)cc3)C(=O)CCC(=O)OC)C(=O)CCC(=O)OC)cc2)C(=O)CCC(=O)OC)C(=O)CCC(=O)OC)cc1)C(=O)CCC(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC2 Q92769 5/20 0.48
▸ HDAC6 Q9UBN7 5/20 0.48
▸ HDAC4 P56524 4/20 0.48
▸ HDAC7 Q8WUI4 4/20 0.48
▸ HDAC10 Q969S8 4/20 0.48
▸ HDAC11 Q96DB2 4/20 0.48
▸ HDAC8 Q9BY41 4/20 0.48
▸ HDAC9 Q9UKV0 4/20 0.48
▸ HDAC5 Q9UQL6 4/20 0.48
▸ NCOR2 Q9Y618 1/20 0.46
▸ PDE6D O43924 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ACHE P22303 1/20 0.43

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
SCHEMBL13521690 0.91 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL25501979 0.86 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703494 0.80 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703491 0.79 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703488 0.78 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL23080794 0.78 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC4
Hydrochloric Acid SCHEMBL23270114 0.77 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703486 0.75 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703492 0.75 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL840657 0.75 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC6HDAC4

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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 — — 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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 HDAC3 2094/4885HDAC1 448/4885HDAC2 1775/4885

“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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