SCHEMBL5849210

SCHEMBL5849210

O=C(O)CCCCCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CES2 O00748 1/20 0.56
TBXA2R P21731 11/20 0.55
TBXAS1 P24557 7/20 0.55
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5851344 0.98 CES2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2743374 0.95 CES2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL744906 0.89 CTNNB1 (0.62) CES2TBXA2RTBXAS1CTNNB1WNT3A
SCHEMBL2091542 0.87 CES2 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17134082 0.87 HDAC3 (0.58) HDAC3HDAC1HDAC2CES2CTNNB1
SCHEMBL5660597 0.85 CES2 (0.56) HDAC3HDAC1HDAC2CES2TBXA2R
SCHEMBL5544636 0.85 CES2 (0.56) HDAC3HDAC1HDAC2HDAC8CES2
SCHEMBL27629242 0.85 HDAC3 (0.59) HDAC3HDAC1HDAC2CES2CTNNB1
SCHEMBL4309488 0.83 CES2 (0.57) HDAC3HDAC1HDAC2CES2CTNNB1
SCHEMBL17134152 0.83 HDAC3 (0.60) HDAC3HDAC1HDAC2CES2CTNNB1

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.