SCHEMBL5358938

SCHEMBL5358938

NC(CO)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.74
LAP3 P28838 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 2/20 0.57
EPHX2 P34913 1/20 0.57
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL2027392 1.00 LTA4H (0.74) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL2032141 1.00 LTA4H (0.74) LTA4HLAP3LMNACYP1A2PTGS1
Hydrochloric Acid SCHEMBL4229807 0.98 LTA4H (0.72) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL4701244 0.87 LTA4H (0.74) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL29399745 0.85 LTA4H (1.00) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL11216638 0.85 LTA4H (0.72) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL1893279 0.85 LTA4H (1.00) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL1893281 0.85 LTA4H (1.00) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL13696737 0.85 LTA4H (0.72) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL4243613 0.85 LMNA (0.59) LTA4HLAP3LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 WO disclosed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US disclosed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 LTA4H 2081/4885LAP3 2197/4885LMNA 2549/4885
US-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A LTA4H 31/4885LAP3 151/4885LMNA 1539/4885
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 LTA4H 1061/4885LAP3 2630/4885LMNA 3630/4885
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B LTA4H 2416/4885LAP3 1416/4885LMNA 2068/4885

“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.