SCHEMBL5849219

SCHEMBL5849219

O=C(O)CCCCCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
TSHR P16473 1/20 0.53
KMO O15229 3/20 0.53
HSD11B1 P28845 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SRD5A2 P31213 1/20 0.47
PDE4B Q07343 1/20 0.46

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
SCHEMBL6360749 0.98 TSHR (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5848843 0.95 TSHR (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL727064 0.87 TSHR (0.59) TSHRKMOHSD11B1LMNASRD5A2
SCHEMBL7389548 0.86 KMO (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1447695 0.85 HSD17B3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6361425 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11491110 0.85 HSD17B3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11495380 0.85 HSD17B3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5255144 0.84 KMO (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5255149 0.84 POLB (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 HDAC3 821/4885HDAC4 1205/4885HDAC1 986/4885

“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.