SCHEMBL4259306

SCHEMBL4259306

NC(=O)CCCCCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
MMP1 P03956 1/20 0.57
PTPN1 P18031 2/20 0.56
GSK3B P49841 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL739420 0.88 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5849457 0.86 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL739090 0.86 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL3381534 0.86 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL4100412 0.86 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5504693 0.85 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5504688 0.85 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2089281 0.85 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL12420336 0.85 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL23049765 0.84 HDAC1 (0.67) HDAC1HDAC8MMP1PTPN1GSK3B

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
EP-2111394-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2009-10-28 EP disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
WO-2008084057-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-07-17 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-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION CNR1, OPRL1, CNR2 HDAC1 4503/4885HDAC8 4866/4885MMP1 4705/4885

“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.