SCHEMBL3868045

SCHEMBL3868045

COC(=O)Cc1cccc(OCCCBr)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
PLA2G4B P0C869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
NR1H3 Q13133 2/20 0.44
GLS O94925 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 4/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL334386 0.93 SLC7A5 (0.48) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL2767522 0.87 SLC7A5 (0.48) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL7804122 0.87 PLA2G4B (0.60) ALDH1A1KDM4EGAAPLA2G4BCYP2D6
SCHEMBL31155869 0.86 CYP2D6 (0.46) ALDH1A1KDM4EGAACYP2D6MTNR1A
SCHEMBL27855936 0.86 L3MBTL1 (0.53) ALDH1A1PLA2G4BMAPK1L3MBTL1CYP2D6
SCHEMBL3979830 0.86 SLC7A5 (0.47) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL3984588 0.86 SLC7A5 (0.50) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL3334714 0.85 ALDH1A1 (0.51) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL28588436 0.85 KMT2A (0.55) SLC7A5ALDH1A1KDM4EGAAPLA2G4B
SCHEMBL9402581 0.84 PLA2G4B (0.64) PLA2G4BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993628-B2 Synthetic ligands selective for LXRβ over LXRα, identification and methods of use thereof CITY OF HOPE (US) 2015-03-31 US disclosed
EP-1511483-A4 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP disclosed
US-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF CITY OF HOPE 2009-01-29 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
CN-1282325-A Arylthiazolidinedione derivatives MERCK & CO INC (US) 2001-01-31 CN disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 SLC7A5 129/4885ALDH1A1 97/4885KDM4E 3369/4885
US-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF NR1H2, NR1H3, NR1H4 SLC7A5 1078/4885ALDH1A1 3749/4885KDM4E 4708/4885

“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.