SCHEMBL2636152

SCHEMBL2636152

CC(C)(O[C]=O)c1ccccc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1207241 0.97 PTGS2 (0.36) PTGS2PPARGPPARACYP2C9CYP2C19
SCHEMBL1207238 0.81 PTGS2 (0.41) PTGS2PPARGPPARACYP2C9CYP2C19
SCHEMBL5068618 0.77 ALDH1A1 (0.37) PTGS2ALDH1A1MITFMAPTHTT
SCHEMBL18297950 0.76 HSD11B1 (0.37) PTGS2PPARGPPARACYP2C9CYP2C19
SCHEMBL7312533 0.76 GABRA1 (0.35) ALDH1A1MAPK1CYP2A6TDP1
SCHEMBL10448876 0.76 ALDH1A1 (0.52) PTGS2PPARGPPARACYP2C9CYP2C19
SCHEMBL10581664 0.76 CYP2A6 (0.40) PTGS2FFAR4ALDH1A1MITFMAPT
SCHEMBL28035602 0.75 TDP1 (0.41) PTGS2PPARGPPARACYP2C9CYP2C19
SCHEMBL9461 0.74 MAPK1 (0.43) CYP2C9CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL28562495 0.74 MAPK1 (0.43) PTGS2FFAR4ALDH1A1MITFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 US claimed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 US claimed
US-20140243210-A1 PURIFICATION OF IMMUNOGLOBULINS USING AFFINITY CHROMATOGRAPHY AND PEPTIDE LIGANDS CARBONELL RUBEN (US) 2014-08-28 US claimed
US-20090005261-A1 PURIFICATION OF IMMUNOGLOBULINS USING AFFINITY CHROMATOGRAPHY AND PEPTIDE LIGANDS NORTH CAROLINA STATE UNIVERSITY (US) 2009-01-01 US claimed
EP-1472372-A4 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS AMBERGEN INC (US) 2008-08-13 EP claimed
US-7408030-B2 Peptide that binds to the Fc region of an antibody; from liquid containing immunoglobulins such as blood or blood plasma, plasma fractions, ascites fluid, aqueous cell culture, milk, and colostrums NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-05 US claimed
US-7288372-B2 Methods for the preparation of chemically misaminoacylated tRNA via protective groups AMBERGEN, INC. (US) 2007-10-30 US claimed
US-20060153834-A1 Peptide that binds to the Fc region of an antibody; from liquid containing immunoglobulins such as blood or blood plasma, plasma fractions, ascites fluid, aqueous cell culture, milk, and colostrums NORTH CAROLINA STATE UNIVERSITY 2006-07-13 US claimed
EP-1472372-A1 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS Ambergen, Inc. (US) 2004-11-03 EP claimed
US-20030219780-A1 Methods for the preparation of chemically misaminoacylated tRNA via protective groups AMBERGEN, INC. 2003-11-27 US claimed
EP-0764152-B1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-07-31 EP claimed
US-6096861-A CHEMICAL COMPLEX; MODELS FOR THE DESIGN OF IONOPHORES WHICH CAN INTRODUCE METAL CATIONS INTO CELLS AND ORGANELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-01 US claimed
US-5977302-A SOLUTION PHASE SYNTHESIS PERMITTING LARGE SCALE BULK PRODUCTION USING A MINIMUM NUMBER OF STEPS; REDUCED UNWANTED SIDE REACTIONS AND ELIMINATION OF SIDE CHAIN PROTECTION STEPS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-11-02 US claimed
EP-0623626-B1 Automated allyl deprotection in solid-phase synthesis PERSEPTIVE BIOSYSTEMS INC (US) 1999-09-01 EP claimed
WO-1999026964-A1 LIQUID PHASE PROCESS FOR THE PREPARATION OF GnRH PEPTIDES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-06-03 WO claimed
WO-1998041537-A1 PEPTIDE-PEPTOID METAL COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-24 WO claimed
US-5777077-A SINGLE PHASE LIQUID SOLUTION OF A SOLUBLE ORGANOPALLADIUM COMPLEX CATALYST, A CARBOXYLIC ACID AND AN ACCEPTOR E.G. DIMEDONE, N-METHYLANILINE, N,N'-DIMETHYLBARBITURIC ACID, MORPHOLINE OR N-METHYLMORPHOLINE; SIDE EFFECT REDUCTION PERSEPTIVE BIOSYSTEMS, INC. (US) 1998-07-07 US claimed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US claimed
EP-0623626-A1 Automated allyl deprotection in solid-phase synthesis PERSEPTIVE BIOSYSTEMS, INC. (US) 1994-11-09 EP claimed
EP-0518295-A2 Allyl side chain protection in peptide synthesis MILLIPORE CORPORATION (US) 1992-12-16 EP claimed

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-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, HABP2, DPP9 PTGS2 2747/4885PPARG 4643/4885PPARA 4667/4885
US-20030219780-A1 Methods for the preparation of chemically misaminoacylated tRNA via protective groups NSUN3, TRMT1, TARBP1 PTGS2 2964/4885PPARG 3392/4885PPARA 3582/4885

“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.