SCHEMBL2830202

SCHEMBL2830202

CCCCCCC1CNC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.46
PPARG P37231 2/20 0.44
GRM2 Q14416 6/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9322761 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1EPHX1PPARGGRM2
SCHEMBL9322994 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1EPHX1PPARGGRM2
SCHEMBL5452024 0.92 LMNA (0.45) CYP1A2ALDH1A1PPARGGRM2LMNA
SCHEMBL5450456 0.86
SCHEMBL8396437 0.82 CYP1A2 (0.60) CYP1A2ALDH1A1EPHX1PPARGGRM2
Hexane SCHEMBL17769241 0.81 PTPN1 (0.43) CYP1A2ALDH1A1LMNAMAOASLC6A2
SCHEMBL18595269 0.78 LMNA (0.38) CYP1A2ALDH1A1LMNAMAOASLC6A2
SCHEMBL18595192 0.78 LMNA (0.38) CYP1A2ALDH1A1LMNAMAOASLC6A2
SCHEMBL8761955 0.78 ALDH1A1 (0.56) CYP1A2ALDH1A1LMNAMAOASLC6A2
SCHEMBL9324248 0.78 ALDH1A1 (0.56) CYP1A2ALDH1A1LMNAMAOASLC6A2

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 34 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
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-20100292241-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-11-18 US disclosed
US-20100292241-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-11-18 US disclosed
US-20100292241-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-11-18 US disclosed
EP-2244576-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2010-11-03 EP disclosed
WO-2009094265-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK & CO., INC. (US) 2009-07-30 WO disclosed
WO-2009094265-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK & CO., INC. (US) 2009-07-30 WO disclosed
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
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1997046098-A1 CLUSTER 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 (2 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 CYP1A2 4699/4885ALDH1A1 1840/4885EPHX1 2032/4885
US-20100292241-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES GRM2, GRM3, GRM1 CYP1A2 1861/4885ALDH1A1 975/4885EPHX1 1776/4885

“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.