SCHEMBL426087

SCHEMBL426087

C[S+]([O-])CCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL8070797 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL15467127 0.91
SCHEMBL3192362 0.89 PPARG (0.59) TSHRLMNAPPARGPPARDPPARA
SCHEMBL8592585 0.88 LMNA (0.46) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL5321589 0.85 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
Adipic Acid SCHEMBL11412900 0.83 LMNA (0.65) TSHRLMNANFKB1PMP22GPR84
SCHEMBL11401257 0.82 PAOX (0.48) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7994585 0.82 PAOX (0.48) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL9635507 0.81 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL2581538 0.81 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233400-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES EURO-CELTIQUE S.A. (LU) 2017-08-17 US disclosed
US-9670218-B2 Methods for making 3-O-protected morphinones and 3-O-protected morphinone dienol carboxylates PURDUE PHARMA L.P. (US) 2017-06-06 US disclosed
US-20150239898-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES EURO-CELTIQUE S.A. (LU) 2015-08-27 US disclosed
US-8975257-B2 Methods for making 3-O-protected morphinones and 3-O-protected morphinone dienol carboxylates PURDUE PHARMA L.P. (US) 2015-03-10 US disclosed
US-20140171643-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES PURDUE PHARMA L.P. (US) 2014-06-19 US disclosed
US-20120225902-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES PURDUE PHARMA L.P. (US) 2012-09-06 US disclosed
US-8198444-B2 Methods for making 3-O-protected morphinones and 3-O-protected morphinone dienol carboxylates PURDUE PHARMA L.P. (US) 2012-06-12 US disclosed
US-20120022259-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES PURDUE PHARMA L.P. (US) 2012-01-26 US disclosed
EP-2035442-B1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2011-10-12 EP disclosed
US-8003793-B2 Methods for making 3-O-protected morphinones and 3-O-protected morphinone dienol carboxylates PURDUE PHARMA L.P. (US) 2011-08-23 US disclosed
EP-2194059-A2 Methods for making 3-O-protected morphinones and 3-O-protected morphinone dienol carboxylates EURO-CELTIQUE S.A. (LU) 2010-06-09 EP disclosed
EP-1864987-B1 Methods for making 3-O protected morphinones and 3-O-protected morphinone dienol carboxylates EURO CELTIQUE SA (LU) 2009-12-09 EP disclosed
EP-2035442-A1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-03-18 EP disclosed
EP-1711502-B1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES EURO CELTIQUE SA (LU) 2008-08-27 EP disclosed
US-20080146804-A1 making aldehydes and ketones comprising allowing the corresponding primary or secondary alcohol to react in the presence of trichoroisocyanuric acid, a compound of formula R1SR2 and a base EURO-CELTIQUE S.A. (LU) 2008-06-19 US disclosed
WO-2007144411-A1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-12-21 WO disclosed
EP-1864987-A2 Methods for making 3-O protected morphinones and 3-O-protected morphinone dienol carboxylates EURO-CELTIQUE S.A. (LU) 2007-12-12 EP disclosed
CN-1918168-A Methods for making 3-o-protected morphinones and 3-o-protected morphinone dienol carboxylates EURO CELTIQUE SA (LU) 2007-02-21 CN disclosed
EP-1711502-A2 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES EURO-CELTIQUE S.A. (LU) 2006-10-18 EP disclosed
WO-2005077957-A2 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES EURO-CELTIQUE S.A. (LU) 2005-08-25 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 (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-20080146804-A1 making aldehydes and ketones comprising allowing the corresponding primary or secondary alcohol to react in the presence of trichoroisocyanuric acid, a compound of formula R1SR2 and a base ADH1C, TACR2, OGFR TSHR 177/4885LMNA 4543/4885NFKB1 2737/4885
US-20120022259-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES OGFR, OPRM1, TACR2 TSHR 127/4885LMNA 3809/4885NFKB1 4054/4885
US-20150239898-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES OGFR, OPRM1, TACR2 TSHR 127/4885LMNA 3809/4885NFKB1 4054/4885
US-20170233400-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES OGFR, OPRM1, TACR2 TSHR 131/4885LMNA 3764/4885NFKB1 4044/4885
US-20140171643-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES OGFR, OPRM1, TACR2 TSHR 127/4885LMNA 3809/4885NFKB1 4054/4885
US-20120225902-A1 METHODS FOR MAKING 3-O-PROTECTED MORPHINONES AND 3-O-PROTECTED MORPHINONE DIENOL CARBOXYLATES OGFR, OPRM1, TACR2 TSHR 127/4885LMNA 3809/4885NFKB1 4054/4885

“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.