SCHEMBL12440657

SCHEMBL12440657

COCCOCCOC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11892079 1.00 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL863123 1.00 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL863284 1.00 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL863124 0.93 TSHR (0.43) TSHRALDH1A1MEN1KMT2ACA2
SCHEMBL863128 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL863125 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7637824 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2213077 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
Diethylene Glycol Diisobutanoate SCHEMBL9561713 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL863288 0.91 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 US disclosed
US-8969532-B2 Methods for the purification of polypeptide conjugates comprising polyalkylene oxide using hydrophobic interaction chromatography NOVO NORDISK A/S (DK) 2015-03-03 US disclosed
US-20110177029-A1 O-LINKED GLYCOSYLATION USING N-ACETYLGLUCOSAMINYL TRANSFERASES NOVO NORDISK A/S (DK) 2011-07-21 US disclosed
US-20100075375-A1 METHODS FOR THE PURIFICATION OF POLYPEPTIDE CONJUGATES NOVO NORDISK A/S (DK) 2010-03-25 US disclosed
US-20100035299-A1 METHODS FOR THE PURIFICATION OF POLYPEPTIDE CONJUGATES NOVO NORDISK A/S (DK) 2010-02-11 US disclosed
US-7514201-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2009-04-07 US disclosed
US-20080280818-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NEOSE TECHNOLOGIES, INC. (US) 2008-11-13 US disclosed
US-20080274958-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NEOSE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080253992-A1 Using hydrophobic interaction chromatography to recover therapeutic fusion protein for use in treatment of injuries associated with ischemia, trauma, inflammation and contact with toxic substances NEOSE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080242607-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NEOSE TECHNOLOGIES, INC. (US) 2008-10-02 US 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 (8 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-20080280818-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NGLY1, OGA, OGT TSHR 2283/4885ALDH1A1 2918/4885TP53 809/4885
US-20100075375-A1 METHODS FOR THE PURIFICATION OF POLYPEPTIDE CONJUGATES PTMS, SIGLEC7, NGLY1 TSHR 594/4885ALDH1A1 3685/4885TP53 1661/4885
US-20080242607-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NGLY1, OGA, OGT TSHR 2283/4885ALDH1A1 2918/4885TP53 809/4885
US-20100035299-A1 METHODS FOR THE PURIFICATION OF POLYPEPTIDE CONJUGATES PTMS, SIGLEC7, NGLY1 TSHR 594/4885ALDH1A1 3685/4885TP53 1661/4885
US-20180030165-A1 Polycations and Methods of Making and Using Thereof POLI, PARG, PCNA TSHR 1240/4885ALDH1A1 3567/4885TP53 382/4885
US-20080253992-A1 Using hydrophobic interaction chromatography to recover therapeutic fusion protein for use in treatment of injuries associated with ischemia, trauma, inflammation and contact with toxic substances PIGS, CD40, FGB TSHR 1066/4885ALDH1A1 3695/4885TP53 1631/4885
US-20110177029-A1 O-LINKED GLYCOSYLATION USING N-ACETYLGLUCOSAMINYL TRANSFERASES OGT, UGGT1, GALNT6 TSHR 3863/4885ALDH1A1 1060/4885TP53 2249/4885
US-20080274958-A1 GLYCOSYLATION OF PEPTIDES VIA O-LINKED GLYCOSYLATION SEQUENCES NGLY1, OGA, OGT TSHR 2283/4885ALDH1A1 2918/4885TP53 809/4885

“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.