SCHEMBL7202865

SCHEMBL7202865

CC(C)(C)OC(=O)N(CCCNCc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.58
PAX8 Q06710 1/20 0.58
REN P00797 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
ATM Q13315 1/20 0.44
AKT1 P31749 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HTR5A P47898 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL7205254 0.96 CCR6 (0.57) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7207519 0.95 CCR6 (0.56) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7202274 0.95 CCR6 (0.56) CCR6PAX8RENHDAC3HDAC1
SCHEMBL9188875 0.94 CCR6 (0.66) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7206187 0.92 HDAC3 (0.55) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7972013 0.88 REN (0.54) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7986648 0.88 REN (0.54) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7972070 0.87 REN (0.53) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7986481 0.87 REN (0.53) CCR6PAX8RENHDAC3HDAC1
SCHEMBL7983610 0.87 REN (0.53) CCR6PAX8RENHDAC3HDAC1

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-20030229037-A1 Novel cationic amphiphiles MASSING ULRICH (DE) 2003-12-11 US disclosed
EP-1261620-A2 CATIONIC AMPHIPHILES FOR USE IN NUCLEIC ACID TRANSFECTION Roche Diagnostics Corporation (US) 2002-12-04 EP disclosed
WO-2001057064-A2 CATIONIC AMPHIPHILES FOR USE IN NUCLEIC ACID TRANSFECTION ROCHE DIAGNOSTICS CORPORATION (US) 2001-08-09 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-20030229037-A1 Novel cationic amphiphiles ABHD16A, APMAP, ABCB4 CCR6 1627/4885PAX8 4401/4885REN 4368/4885

“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.