SCHEMBL6036825

SCHEMBL6036825

CCCCCCC1COC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 3/20 0.41
HLCS P50747 2/20 0.40
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
EPHX1 P07099 1/20 0.36
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35

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
SCHEMBL2780724 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL10337476 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL13082563 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL474085 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL9052248 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL8443031 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL5518415 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL1439579 0.85
SCHEMBL2365737 0.85
SCHEMBL1439581 0.85

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030129191-A1 Pretargeting methods and compounds NEORX CORPORATION (US) 2003-07-10 US claimed
US-6416738-B1 ADMINISTERING TO A RECIPIENT A FIRST CONJUGATE COMPRISING A TARGETING MOIETY AND A MEMBER OF A LIGAND/ANTI-LIGAND BINDING PAIR, THEREAFTER ADMINISTERING TO THE RECIPIENT A CLEARING AGENT, ADMINISTERING SECOND CONJUGATE NEORX CORPORATION 2002-07-09 US claimed
US-6075010-A Small molecular weight ligand-hexose containing clearing agents NEORX CORPORATION (US) 2000-06-13 US claimed
EP-0743956-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-03-24 EP claimed
US-5624896-A Clearing agents useful in pretargeting methods NEORX CORPORATION (US) 1997-04-29 US claimed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 EP claimed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 WO claimed
US-7060689-B2 Injection of chemical intermediates into mammalian cells; obtain cells, inject with ligand joined colloid, detect signal from ligand THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-06-13 US disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
US-20030129191-A1 Pretargeting methods and compounds NEORX CORPORATION (US) 2003-07-10 US disclosed
EP-0794788-B1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORP (US) 2003-05-14 EP disclosed
US-20020164648-A1 Injection of chemical intermediates into mammalian cells; obtain cells, inject with ligand joined colloid, detect signal from ligand BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-11-07 US disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed
EP-0794788-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1997-09-17 EP disclosed
US-5624896-A Clearing agents useful in pretargeting methods NEORX CORPORATION (US) 1997-04-29 US disclosed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 EP disclosed
WO-1996017613-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1996-06-13 WO disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 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-20030129191-A1 Pretargeting methods and compounds BTD, HLCS, STRA6 ALDH1A1 1840/4885L3MBTL1 1239/4885CYP1A2 4699/4885

“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.