SCHEMBL73774

SCHEMBL73774

CCCCc1ccccc1OCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 2/20 0.48
PPARD Q03181 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
PRKCD Q05655 1/20 0.46
PAK1 Q13153 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL1846913 0.95 ALOX5 (0.51) LTB4RLTB4R2PPARDCYP1A2CYP2C9
SCHEMBL9221890 0.93 THRA (0.54) LTB4RLTB4R2PPARDMAPTTHRA
SCHEMBL11349780 0.93 THRA (0.54) LTB4RLTB4R2PPARDMAPTTHRA
SCHEMBL1536977 0.93 THRA (0.54) LTB4RLTB4R2PPARDMAPTTHRA
SCHEMBL1017777 0.93 THRA (0.54) LTB4RLTB4R2PPARDMAPTTHRA
SCHEMBL5472321 0.92 THRA (0.52) LTB4RLTB4R2PPARDMAPTTHRA
SCHEMBL11856035 0.92 LTB4R (0.50) LTB4RLTB4R2PPARDCYP1A2CYP2C9
SCHEMBL5143987 0.91 ALDH1A1 (0.50) LTB4RLTB4R2PPARDCYP1A2CYP2C9
SCHEMBL5145487 0.91 ALDH1A1 (0.50) LTB4RLTB4R2PPARDCYP1A2CYP2C9
SCHEMBL5143710 0.91 ALDH1A1 (0.50) LTB4RLTB4R2PPARDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526847-A2 PHARMACEUTICAL DOSAGE FORM COMPRISING A SULFITE COMPOUND Pharmacia Corporation (US) 2005-05-04 EP claimed
EP-1526845-A2 PHARMACEUTICAL DOSAGE FORM CAPABLE OF MAINTAINING STABLE DISSOLUTION PROFILE UPON STORAGE Pharmacia Corporation (US) 2005-05-04 EP claimed
US-20040105883-A1 Pharmaceutical dosage form capable of maintaining stable dissolution profile upon storage PHARMACIA CORPORATION 2004-06-03 US claimed
US-20040105884-A1 Pharmaceutical dosage form comprising a sulfite compound PHARMACIA CORPORATION 2004-06-03 US claimed
WO-2004022032-A2 PHARMACEUTICAL DOSAGE FORM COMPRISING A SULFITE COMPOUND PHARMACIA CORPORATION (US) 2004-03-18 WO claimed
WO-2004010973-A2 PHARMACEUTICAL DOSAGE FORM CAPABLE OF MAINTAINING STABLE DISSOLUTION PROFILE UPON STORAGE PHARMACIA CORPORATION (US) 2004-02-05 WO claimed
US-6627108-B1 Salicylic acid, nitrilotriacetic acid, sodium hydroxide, n,n-di-secbutylaminophenol, polyalkylene methylpolysiloxane and water; efficient elemental sulfur recovery INSTITUT FRANCAIS DU PETROLE (FR) 2003-09-30 US claimed
EP-1274425-A1 RAPID-ONSET FORMULATION OF A SELECTIVE CYCLOOXIGENASE-2 INHIBITOR Pharmacia Corporation (US) 2003-01-15 EP claimed
US-20020107250-A1 Rapid-onset formulation of a selective cyclooxygenase-2 inhibitor PHARMACIA CORPORATION 2002-08-08 US claimed
WO-2001078724-A1 RAPID-ONSET FORMULATION OF A SELECTIVE CYCLOOXIGENASE-2 PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
WO-2002096435-A2 SKIN-PERMEABLE COMPOSITION COMPRISING A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR A MONOHYDRIC ALCOHOL PHARMACIA CORPORATION (US) 2002-12-05 WO disclosed
WO-2002083177-A1 ORALLY DELIVERABLE PHARMACEUTICAL COMPOSITION COMPRISING A DRUG OF LOW WATER SOLUBILITY (COX-2 INHIBITOR), A SOLVENT, A FATTY ACID AND AN ORGANIC AMINE PHARMACIA CORPORATION (US) 2002-10-24 WO disclosed
US-20020107250-A1 Rapid-onset formulation of a selective cyclooxygenase-2 inhibitor PHARMACIA CORPORATION 2002-08-08 US disclosed
WO-2001078724-A1 RAPID-ONSET FORMULATION OF A SELECTIVE CYCLOOXIGENASE-2 PHARMACIA CORPORATION (US) 2001-10-25 WO disclosed
EP-0844292-A1 Composition and use thereof in conversion of a gas containing hydrogen sulfide and sulfur dioxide to sulfur INSTITUT FRANCAIS DU PETROLE (FR) 1998-05-27 EP 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 (6 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 LTB4R 576/4885LTB4R2 528/4885PPARD 1156/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR LTB4R 1473/4885LTB4R2 1915/4885PPARD 234/4885
US-20040105884-A1 Pharmaceutical dosage form comprising a sulfite compound PTGS2, PTGES2, PTGS1 LTB4R 143/4885LTB4R2 47/4885PPARD 3112/4885
US-20020107250-A1 Rapid-onset formulation of a selective cyclooxygenase-2 inhibitor PTGER2, PTGES2, PTGER1 LTB4R 37/4885LTB4R2 24/4885PPARD 802/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR LTB4R 2345/4885LTB4R2 2939/4885PPARD 361/4885
US-20040105883-A1 Pharmaceutical dosage form capable of maintaining stable dissolution profile upon storage PTGS2, PTGES2, PTGER2 LTB4R 78/4885LTB4R2 28/4885PPARD 3746/4885

“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.