SCHEMBL2848161

SCHEMBL2848161

COC(=O)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
LTB4R Q15722 1/20 0.60
LTB4R2 Q9NPC1 1/20 0.60
NR4A2 P43354 1/20 0.59
SMPD1 P17405 1/20 0.57
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
BCHE P06276 1/20 0.56
FFAR1 O14842 2/20 0.55
PTPN1 P18031 1/20 0.55
CYP2D6 P10635 1/20 0.54
PTGES O14684 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAAA Q02083 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL12746034 0.92 NR4A2 (0.58) MAOBLTB4RLTB4R2NR4A2SMPD1
SCHEMBL5800707 0.90 LTB4R (0.56) MAOBLTB4RLTB4R2NR4A2SMPD1
SCHEMBL490786 0.89 MEN1 (0.59) MAOBLTB4RLTB4R2NR4A2SMN1; SMN2
SCHEMBL9204780 0.89 LTB4R (0.55) MAOBLTB4RLTB4R2NR4A2SMN1; SMN2
SCHEMBL6445857 0.89 MAOB (0.61) MAOBNR4A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1137350 0.86 ALDH1A1 (0.67) MAOBLTB4RLTB4R2NR4A2SMPD1
SCHEMBL1008116 0.85 LTB4R (0.61) MAOBLTB4RLTB4R2NR4A2SMPD1
SCHEMBL1592618 0.85 HSP90AB1 (0.61) MAOBLTB4RLTB4R2NR4A2SMN1; SMN2
SCHEMBL10683288 0.85 FFAR1 (0.63) MAOBLTB4RLTB4R2NR4A2SMPD1
SCHEMBL5213552 0.84 SLC7A5 (0.55) FFAR1PTGESSMN1; SMN2KDM4EALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed
US-7598242-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598242-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
WO-2003053915-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2003-07-03 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 (4 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 MAOB 2170/4885LTB4R 1157/4885LTB4R2 1228/4885
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 MAOB 783/4885LTB4R 3484/4885LTB4R2 3985/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 MAOB 576/4885LTB4R 99/4885LTB4R2 104/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MAOB 3322/4885LTB4R 591/4885LTB4R2 429/4885

“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.