SCHEMBL6511591

SCHEMBL6511591

O=COC(=O)CCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALOX5 P09917 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
CES1 P23141 4/20 0.53
FAAH O00519 3/20 0.53
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL2774750 0.98 MAPT (0.58) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL27608422 0.93 HDAC1 (0.58) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11119017 0.89 MAPT (0.59) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11418333 0.89 MAPT (0.59) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL28174460 0.86 FFAR1 (0.56) MAPTRXFP1MGLL
SCHEMBL14952781 0.86 TDP1 (0.63) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL27428759 0.84 TDP1 (0.61) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL11578613 0.82 MAPT (0.69) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL10623470 0.82 MAPT (0.69) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7655514 0.82 MAPT (0.69) MAPTRXFP1ALOX5HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059605-A1 Chemically modified metabolites of regulatory peptides and methods of producing and using same THERATECHNOLOGIES INC. (CA) 2005-03-17 US disclosed
WO-2004067548-A2 CHEMICALLY MODIFIED METABOLITES OF REGULATORY PEPTIDES AND METHODS OF PRODUCING AND USING SAME THERATECHNOLOGIES INC. (CA) 2004-08-12 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-20050059605-A1 Chemically modified metabolites of regulatory peptides and methods of producing and using same PTMS, DPP7, GIPR MAPT 4836/4885RXFP1 79/4885ALOX5 4176/4885

“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.