SCHEMBL4551532

SCHEMBL4551532

CCCCCC(O)=CCOCC=C(O)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 5/20 0.39
PTPN1 P18031 3/20 0.39
FABP4 P15090 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3361822 0.78 AKR1B1 (0.46) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL3361824 0.78 AKR1B1 (0.46) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11850685 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL3363214 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11849168 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL25425408 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL870550 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11849165 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9997344 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11850680 0.76 GPR84 (0.48) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101702-B2 Fermentative preparation process for and crystal forms of cytostatics NOVARTIS AG (CH) 2006-09-05 US claimed
CN-1229502-C Fermentation preparation method of cell inhibitor and crystal form thereof NOVARTIS AG (CH) 2005-11-30 CN claimed
EP-1054994-B1 FERMENTATIVE PREPARATION PROCESS FOR CYTOSTATICS AND CRYSTAL FORMS THEREOF NOVARTIS AG (CH) 2004-11-17 EP claimed
US-20040142990-A1 Fermentative preparation process for and crystal forms of cytostatics HOFMANN HANS (CH) 2004-07-22 US claimed
US-20030220379-A1 Fermentative preparation process for and crystal forms of cytostatics HOFMANN HANS (CH) 2003-11-27 US claimed
US-20030194787-A1 Concentrating epothilones in culture media; using a cyclodextrin or derivative complexing agent; reverse phase chromatography with acetonitrile as eluant; Sorangium cellulosum obtained by mutagenesis HOFMANN HANS (CH) 2003-10-16 US claimed
US-20020165256-A1 Fermentative preparation process for and crystal forms of cytostatics HOFMANN HANS (CH) 2002-11-07 US claimed
CN-1291239-A Fermentation preparation method of cell inhibitor and crystal form thereof NOVARTIS AG (CH) 2001-04-11 CN claimed
US-6194181-B1 PRODUCING EPOTHIOLONES IN A CULTURE MEDIUM BY PROVIDING MICROORGANISMS SUCH AS MYXOBACTERIA WHICH PRODUCE EPOTHIOLONES, AND ADDING A COMPLEX-FORMING AGENT SOLUBLE IN THE CULTURE MEDIUM, SUCH AS CYCLODEXTRINS; ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-02-27 US claimed
EP-1054994-A2 FERMENTATIVE PREPARATION PROCESS FOR CYTOSTATICS AND CRYSTAL FORMS THEREOF Novartis AG (CH) 2000-11-29 EP claimed
WO-1999042602-A2 FERMENTATIVE PREPARATION PROCESS FOR CYTOSTATICS AND CRYSTAL FORMS THEREOF NOVARTIS AG (CH) 1999-08-26 WO claimed
US-20090326239-A1 FERMENTATIVE PREPARATION PROCESS FOR AND CRYSTAL FORMS OF CYTOSTATICS HOFMANN HANS 2009-12-31 US disclosed
US-20070197611-A1 Fermentative preparation process for and crystal forms of cytostatics HOFMANN HANS 2007-08-23 US disclosed
US-7101702-B2 Fermentative preparation process for and crystal forms of cytostatics NOVARTIS AG (CH) 2006-09-05 US disclosed
CN-1229502-C Fermentation preparation method of cell inhibitor and crystal form thereof NOVARTIS AG (CH) 2005-11-30 CN disclosed
US-6194181-B1 PRODUCING EPOTHIOLONES IN A CULTURE MEDIUM BY PROVIDING MICROORGANISMS SUCH AS MYXOBACTERIA WHICH PRODUCE EPOTHIOLONES, AND ADDING A COMPLEX-FORMING AGENT SOLUBLE IN THE CULTURE MEDIUM, SUCH AS CYCLODEXTRINS; ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-02-27 US disclosed
EP-1054994-A2 FERMENTATIVE PREPARATION PROCESS FOR CYTOSTATICS AND CRYSTAL FORMS THEREOF Novartis AG (CH) 2000-11-29 EP disclosed
US-6121029-A NUCLEOTIDE SEQUENCES ENCODING AT LEAST ONE POLYPEPTIDE FROM POLYKETIDE SYNTHASE; FOR RECOMBINANT PRODUCTION OF ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2000-09-19 US disclosed
WO-1999066028-A2 GENES FOR THE BIOSYNTHESIS OF EPOTHILONES NOVARTIS AG (CH) 1999-12-23 WO disclosed
WO-1999042602-A2 FERMENTATIVE PREPARATION PROCESS FOR CYTOSTATICS AND CRYSTAL FORMS THEREOF NOVARTIS AG (CH) 1999-08-26 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 (5 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-20040142990-A1 Fermentative preparation process for and crystal forms of cytostatics TALDO1, PYCR1, THPO AKR1B1 169/4885GPR84 4537/4885PPARG 4350/4885
US-20030220379-A1 Fermentative preparation process for and crystal forms of cytostatics TALDO1, PYCR1, THPO AKR1B1 169/4885GPR84 4537/4885PPARG 4350/4885
US-20020165256-A1 Fermentative preparation process for and crystal forms of cytostatics TALDO1, PYCR1, THPO AKR1B1 169/4885GPR84 4537/4885PPARG 4350/4885
US-20070197611-A1 Fermentative preparation process for and crystal forms of cytostatics TALDO1, PYCR1, THPO AKR1B1 168/4885GPR84 4537/4885PPARG 4382/4885
US-20090326239-A1 FERMENTATIVE PREPARATION PROCESS FOR AND CRYSTAL FORMS OF CYTOSTATICS TALDO1, PYCR1, THPO AKR1B1 169/4885GPR84 4537/4885PPARG 4350/4885

“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.