SCHEMBL10085181

SCHEMBL10085181

COCCN(CC(=O)N(CCCCN)CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(C)=O)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
PAOX Q6QHF9 1/20 0.33
KDM4A O75164 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.32
DOHH Q9BU89 1/20 0.32
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL13045430 1.00 ACHE (0.36) ACHEPAOXKDM4AHIF1ATET2
SCHEMBL14524602 1.00 ACHE (0.36) ACHEPAOXKDM4AHIF1ATET2
SCHEMBL12387578 1.00 ACHE (0.36) ACHEPAOXKDM4AHIF1ATET2
SCHEMBL13045395 0.90 ACHE (0.36) ACHEKDM4AHIF1ATET2DOHH
SCHEMBL26186437 0.83 CA2 (0.31)
SCHEMBL12161126 0.83 KDM4A (0.36) ACHEKDM4AHIF1ATET2DOHH
SCHEMBL26186419 0.82 BLM (0.30)
SCHEMBL10085176 0.81 MC5R (0.46) ACHEMC4RMC5RMC3RHDAC1
SCHEMBL12387465 0.81 MC5R (0.46) ACHEMC4RMC5RMC3RHDAC1
SCHEMBL12387574 0.81 MC5R (0.46) ACHEMC4RMC5RMC3RHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 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-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP ACHE 4283/4885PAOX 1509/4885KDM4A 4212/4885

“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.