SCHEMBL9006777

SCHEMBL9006777

CC(=O)OC(C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 2/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9720156 0.87 GAA (0.50) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL13827068 0.82 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL17356885 0.79 GAA (0.44) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL607878 0.78 DGAT1 (0.31) GAAALDH1A1TSHR
SCHEMBL13003089 0.77 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL13434035 0.77 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL18156057 0.77 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL607879 0.75 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL15398133 0.75 GAA (0.46) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL10593835 0.75 GAA (0.41) GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11762287-B2 Onium salt compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-19 US disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-20150368394-A1 CATALYSTS AND METHODS FOR POLYESTER PRODUCTION NOVOMER, INC. 2015-12-24 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
US-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME SIRCAR JAGADISH 2007-10-11 US disclosed
US-20070194305-A1 Organic thin film transistor comprising fluorine-based polymer thin film and method for fabricating the same SAMSUNG ELECTRONICS CO., LTD. 2007-08-23 US disclosed
US-20070179132-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-7235546-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-06-26 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054920-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054922-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 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 (11 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M GAA 2536/4885ALDH1A1 2455/4885TSHR 3315/4885
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 GAA 807/4885ALDH1A1 3231/4885TSHR 237/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 GAA 733/4885ALDH1A1 1412/4885TSHR 600/4885
US-20070179132-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M GAA 2452/4885ALDH1A1 2468/4885TSHR 2986/4885
US-11762287-B2 Onium salt compound, chemically amplified resist composition and patterning process IDUA, SLC6A5, SLC6A9 GAA 740/4885ALDH1A1 4322/4885TSHR 3502/4885
US-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885
US-20070054920-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885
US-20070054922-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 2209/4885ALDH1A1 1799/4885TSHR 2132/4885

“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.