SCHEMBL5002352

SCHEMBL5002352

CCP(=O)(O)CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
CETP P11597 1/20 0.43
TSHR P16473 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
FDPS P14324 1/20 0.40
APP P05067 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL24673276 0.83 CNR2 (0.43) CETPTSHRL3MBTL1CNR2LMNA
SCHEMBL12227404 0.82 MEN1 (0.50) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL2488080 0.77 TSHR (0.69) CETPTSHRFDPS
SCHEMBL6277731 0.76 HPGD (0.58) RORCHDAC3HDAC1HDAC2HDAC8
SCHEMBL29774220 0.76 HDAC3 (0.51) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL8065724 0.75 LMNA (0.44) LMNAACHE
SCHEMBL2507365 0.75 TSHR (0.67) CETPTSHRFDPS
SCHEMBL20575202 0.75 TSHR (0.67) CETPTSHRFDPS
Phosphoric Acid SCHEMBL28953116 0.74 CARM1 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL29774222 0.73 BCHE (0.44) HDAC3HDAC1HDAC2HDAC8NCOR2

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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS RORC 2545/4885CETP 2678/4885TSHR 4034/4885

“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.